Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE006184 |
ID: | TCMBANKHE006184 |
植物拉丁名: |
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功能与主治: | To relieve rheumatic conditions, and to remove obstruction from the channels and relieve pain./Wind-cold-damp impediment (especially in lower part of body), pain in lumbus and knees, headache, toothache. |
药用植物名: | 独活 |
药用部位: | root |
药味: | Minor Warm; Pungent; Bitter |
经络: | Bladder; Liver |
治疗类型: | 祛风湿散寒药 |
TCM_ID_id: | 4449 |
SymMap_id: | 113 |
TCMSP_id: | 151 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000043 | Isoindigo | Oprea1_712169; isoindigo; (E)-[3,3'-Biindolinylidene]-2,2'-dione; (3E)-3-(2-ketoindolin-3-ylidene)oxindole; NSC717810; ZINC00262239; 2H-Indol-2-one, 3-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,3-dihydro-; CHEMBL515155; (E)-1H,1'H-[3,3'-BIINDOLYLIDENE]-2,2'-DIONE; MLCPSWPIYHDOKG-BUHFOSPRSA-N; NSC-717810; 3-(2-oxo-3-indolinylidene)-2-indolinone; UNII-6UE33XXJ1Y; Isoindigotin; (E)-[3,3''-biindolinylidene]-2,2''-dione; SR-01000390554; trans-Isoindigo; (3E)-3-(2-oxoindolin-3-ylidene)indolin-2-one; MolPort-001-734-736; ZINC32915988; 476-34-6; AK677551; NCI60_040614; 3-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2,3-dihydro-1H-indol-2-one; 6UE33XXJ1Y; MFCD00423577; (3E)-3-(2-oxo-3-indolinylidene)-2-indolinone; AK175827; (3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one; AKOS001588195; 3-(2-oxoindolin-3-ylidene)indolin-2-one; BDBM50342561; SR-01000390554-1; 180479-95-2; 3-(2-ketoindolin-3-ylidene)oxindole; MolPort-019-789-923; 3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one; AC1NSX1C; SCHEMBL9899736; (2-oxoindolin-3-ylidene)indolin-2-one | C16H10N2O2 | 262.26 | C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O |
| TCMBANKIN000086 | cucurbitacin e | NSC521775; acetic acid [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; .alpha.-Elaterine; [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; LMST01010107; .alpha.-Elaterin; NCI60_000150; 19-Nor-9.beta.,10.alpha.-lanosta-1,5,23-triene-3,11,22-trione, 2,16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate; [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; ELATERIN, ALPHA; [(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester; [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate; Cucurbitacine E; 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-; Cucurbitacin E; [(6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate; acetic acid [(5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester; [(6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate; 18444-66-1; C08797; acetic acid [(E,5R)-5-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester | C32H44O8 | 556.7 g/mol | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O |
| TCMBANKIN000281 | Myricadiol | AC1NSYWT; isomyricadiol; myricadiol; (3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol | C30H50O2 | 442.72 | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C |
| TCMBANKIN000562 | tannins | Quebracho extract; 28F9E0DJY6; 67167-65-1; 1041198-33-7; TANNIC ACID; 61790-06-5; 1401-55-4; Tannins; Tannic acid [USP:JAN]; Acide tannique; SCHEMBL17432880; d'Acide tannique; 1041198-44-0; Gallotannic acid; 93615-37-3; UNII-28F9E0DJY6; 73891-88-0 | C27H24O18 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O |
| TCMBANKIN000620 | symphytine | SYMPHYTINE; [(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate; (1R,7aR)-7-({[2,3-dihydroxy-2-(1-methylethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate; 7-Tiglyl-9-viridiflorylretronecine; 22571-95-5; 7-((2,3-Dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 2-methyl-2-butenoate (1R-(1alpha(E),7(2S*,3S*),7abeta))-; AC1O5KPS; Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester; 7-{[(2,3-dihydroxy-2-isopropylbutanoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-(1alpha(E),7(2S*,3S*),7abeta))-; LS-7710 | C20H31NO6 | 381.5 g/mol | CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O |
| TCMBANKIN000713 | Columbin | 546-97-4; Tinosporin; columbin; C09077 | C20H22O6 | 358.39 | CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)O)C)C5=COC=C5 |
| TCMBANKIN000791 | Herbacetin | DTXSID70415061; ZINC6536276; 8-Hydroxykaempferol; AK608438; FT-0688291; 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; 8144AH; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3,4',5,7,8-Pentahydroxyflavone; MolPort-019-998-217; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; C02806; A829256; Herbacetin, >=98% (HPLC); ZDOTZEDNGNPOEW-UHFFFAOYSA-N; SCHEMBL872691; 2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one; LMPK12113149; 527-95-7; Ambap527-95-7; herbacetin; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one; D09YVT; 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromone; 3,5,7,8,4'-Pentahydroxyflavone; MFCD00210585; BDBM50304350; PubChem9861; 4H-1-Benzopyran-4-one,3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-; AC1NQX74; AKOS030573690; CHEMBL611029 | C15H10O7 | 302.24 | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O |
| TCMBANKIN001067 | Angelic acid | EINECS 209-284-2; NSC 96885; Angelikasaeure; angelic acid; cis-2-dimethylcrotonic acid; UIERETOOQGIECD-ARJAWSKDSA-N; 2-butenoic acid, 2-methyl-, (2Z)-; alpha-methylisocrotonic acid; 2-Methyl-2-butenoic acid, cis; 2-Methyl-(Z)-Crotonic acid; Angelicasaeure; cis-2-Methyl-2-butenoic acid; InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3; AK307425; MolPort-006-111-892; TR-019840; CHEBI:36431; DB-007259; MFCD00002654; Angelikasaure; ST088024; AKOS003662964; 2-methyl-2Z-butenoic acid; CHEMBL55941; 2-Methyl-(2Z)-2-butenoic acid; ZX-AT028248; BBL012257; SBB071598; Q-201832; alpha-methyl isocrotonic acid; I14-108119; acide angelique; STL163578; Crotonic acid, 2-methyl-, (Z)-; 2-Methyl-(Z)-2-Butenoic acid; H6239; SCHEMBL133954; NSC96885; KB-47402; NSC-96885; ALD-N035924; 2-Butenoic acid,2-methyl-, (2Z)-; (2Z)-2-Methyl-2-butenoic acid; 565-63-9; angelicacid; acido angelico; Crotonic acid, 2-methyl-, (Z)- (8CI); cis-2,3-dimethylacrylic acid; (Z) CH3CH=C(CH3)COOH; ZINC897447; LMFA01020029; (Z)-2-methylbut-2-enoic acid; UNII-54U4ZPB36F; Z-2-methylcrotonic acid; 54U4ZPB36F; (Z)-2-Methyl-2-butenoic Acid; 2-Butenoic acid, 2-methyl-, (Z)-; (2Z)-2-methylbut-2-enoic acid; AC1LD88O; Z-2-methyl-2-butenoic acid; CC-24130; (Z)-2-methylcrotonic acid; 2-Methylisocrotonic acid | C5H8O2 | 100.12 | CC=C(C)C(=O)O |
| TCMBANKIN001122 | 4-methyl-1,2-benzenediamine | ANW-30820; SBB007557; CAS-496-72-0; KSC235O4F; MFCD00007728; InChI=1/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H; DGRGLKZMKWPMOH-UHFFFAOYSA-N; 3,4-Toluenediamine; MolPort-000-147-624; 3,4-Tolylenediamine; WLN: ZR BZ D1; EN300-41268; DSSTox_RID_77586; EINECS 207-826-2; TRA0070519; FT-0614205; DB-051663; NSC 1495; 4-Methyl-o-phenylenediamine, Vetec(TM) reagent grade, 97%; 4-Methyl-1,2-phenylenediamine; AJ-19450; 4-methyl-benzene-1, 2-diamine; NCGC00091277-06; F0001-1293; DSSTox_GSID_24930; BB_SC-6834; NCGC00091277-04; Tolylene-3,4-diamine; M-7239; LS-1300; DSSTox_CID_4930; 3,4-toluene diamine; 4-Methyl-o-phenylenediamine, purum, >=98.0% (NT); NCGC00259298-01; Z1245635723; NSC1495; ST51038573; AKOS001476169; AC-907/25014184; AC1Q2IRO; CCRIS 4611; A827789; NCGC00254324-01; TL80073504; 3,4-Diaminotoluene, 97%; CS-W013550; 636-24-8; MLS002454370; ST2410243; AC1L1UZ8; 4-methylbenzene-1,2-diamine; STK895715; PubChem19699; 4-Methyl-1,2-diaminobenzene; NCGC00091277-03; DTXSID9024930; SC-27301; BG00600052; UNII-OE7HJ54P5C; 4-Methyl-1,2-benzenediamine; NCGC00091277-05; BR-45900; AC1Q2IRP; CJ-02801; CHEMBL1319452; AB1002707; SMR001371992; CTK1D5742; 3,4-DIAMINOTOLUENE; 496-72-0; D0125; Tolue- ne-3,4-Diamine; HSDB 6070; AN-45317; 1,2-Diamino-4-methylbenzene; ZB010580; 4-methyl-benzene-1,2-diamine; AC-10826; MCULE-4665726211; STR02446; ACT07297; AC1Q53D7; 3,4-Toluylenediamine; ZINC331686; SCHEMBL102738; UNII-NJX12DY6BY component DGRGLKZMKWPMOH-UHFFFAOYSA-N; 3,4-Diaminotoluene, 99%, purified by sublimation; 2-amino-4-methylphenylamine; BBL013178; RP19479; 3,4-Diamino-1-methylbenzene; TR-017839; NCGC00091277-01; 9AY; NSC-1495; 3,4 diamino toluene; 4-Methyl-o-phenylenediamine; RTR-017839; Tox21_201749; KB-28133; 3,4-Toluendiamine; NCGC00091277-02; ACMC-1AIEU; (2-amino-5-methyl-phenyl)-amine; BRN 0507965; OE7HJ54P5C; 4-13-00-00260 (Beilstein Handbook Reference); 1,2-Benzenediamine, 4-methyl-; KS-00000ND0; Tox21_300507; W-106015; AK-45900; 3,4-DIAMINO TOLUENE; Toluene-3,4-diamine; HMS3039M17 | C7H10N2 | 122.17 | CC1=CC(=C(C=C1)N)N |
| TCMBANKIN001301 | Pimpinellin | pimpinellin | C14H16O9 | 328.27 | COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC |
| TCMBANKIN002741 | meranzin hydrate | meranzinhydrate | C15H18O5 | 278.3 | CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O |
| TCMBANKIN002787 | (S)-(+)-alpha-Phellandrene | C11391; (5S)-2-methyl-5-propan-2-yl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methyl-cyclohexa-1,3-diene; (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene; 2243-33-6; (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C |
| TCMBANKIN004040 | myrtenic acid | Myrtenate; myrtenicacid; 6,6-Dimethyl-2-norpinene-2-carboxylate; 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate | C14H28O2 | 228.37 | CC1(C2CC=C(C1C2)C(=O)[O-])C |
| TCMBANKIN004058 | 4-methyldibenzofuran | C13H10O | 182.22 | CC1=C2C(=CC=C1)C3=CC=CC=C3O2 | |
| TCMBANKIN004652 | 2-[(1R)-2,2,3-trimethyl-1-cyclopent-3-enyl]ethanal | ZINC01063075; 2-[(1R)-2,2,3-trimethyl-1-cyclopent-3-enyl]acetaldehyde | C10H16O | 152.23 | |
| TCMBANKIN004704 | 1-alpha-Terpinyl acetate | (R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl acetate; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (theta)-; [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] acetate; (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methyl acetate; acetic acid [1-methyl-1-[(1S)-4-methyl-1-cyclohex-3-enyl]ethyl] ester; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1R)-; EINECS 232-082-0; 2-[(1S)-4-methyl-1-cyclohex-3-enyl]propan-2-yl ethanoate; EINECS 261-165-4; 58206-95-4; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (S)-; 3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetate, (1S)-; 7785-54-8 | C12H20O2 | 196.29 | CC1=CCC(CC1)C(C)(C)OC(=O)C |
| TCMBANKIN004722 | marrubiin | ZINC3881917 | C20H28O4 | 332.4 g/mol | CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C |
| TCMBANKIN005386 | 3-Cyclopentene-1-acetaldehyde | C7H10O | 110.15 g/mol | C1C=CCC1CC=O | |
| TCMBANKIN007347 | 5,6-dimethylundecane | C13H28 | 184.36 | CCCCCC(C)C(C)CCCC | |
| TCMBANKIN008160 | TERT-BUTYLTOLUENE | 1-Methyl-2-tert-butylbenzene; 1-tert-Butyl-2-methylbenzene; 27138-21-2; NSC23694; 1074-92-6; o-tert-Butyltoluene; 2-tert-Butyltoluene; Benzene, (1,1-dimethylethyl)methyl-; Toluene, o-tert-butyl-; (1,1-Dimethylethyl)methylbenzene; Benzene, 1-(1,1-dimethylethyl)-2-methyl-; 1-tert-butyl-2-methyl-benzene | C11H16 | 148.24 | CC1=CC=CC=C1C(C)(C)C |
| TCMBANKIN008326 | 7,10-PENTADECADIYNOIC ACID | 22117-06-2; 7,10-pentadecadiynoic acid; pentadeca-7,10-diynoic acid; 7,10-Pentadecadiynoicacid; ACM22117062; CTK1A4127; DTXSID60176634; 7,10-pentadecadiynoicacid; AC1L1KLG | C15H22O2 | 234.33 | CCCCC#CCC#CCCCCCC(=O)O |
| TCMBANKIN009070 | angelol j | C17H22O6 | 322.4 g/mol | CCOC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O | |
| TCMBANKIN010245 | [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate | 3-methylbutanoic acid [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-6-chromenyl)-3-methylbutyl] ester; 3-methylbutyric acid [(1R,2R)-2,3-dihydroxy-1-(2-keto-7-methoxy-chromen-6-yl)-3-methyl-butyl] ester; [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-chromen-6-yl)-3-methyl-butyl] 3-methylbutanoate | 378.46 | ||
| TCMBANKIN010290 | coprine | 2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid; AC1NAMAQ; 2-amino-4-[(1-hydroxycyclopropyl)carbamoyl]butanoic acid; L-coprine | C8H14N2O4 | 202.21 g/mol | C1CC1(NC(=O)CCC(C(=O)O)N)O |
| TCMBANKIN010447 | [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate | (Z)-2-methylbut-2-enoic acid [(1R,2R)-2,3-dihydroxy-1-(2-keto-7-methoxy-chromen-6-yl)-3-methyl-butyl] ester; [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-chromen-6-yl)-3-methyl-butyl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(1R,2R)-2,3-dihydroxy-1-(7-methoxy-2-oxo-6-chromenyl)-3-methylbutyl] ester | 376.44 | ||
| TCMBANKIN012497 | dodecyl isopropyl ether | Ether, dodecyl isopropyl; Dodecylisopropyl ether; 1-Isopropoxydodecane #; CTK6E0389; 29379-42-8; JYJHLFUHTHWNSJ-UHFFFAOYSA-N; 1-propan-2-yloxydodecane; SCHEMBL4505356; AC1LBJT6; 1-Isopropoxydodecane; lauryl isopropyl ether | C15H32O | 228.41 g/mol | CCCCCCCCCCCCOC(C)C |
| TCMBANKIN012520 | 3-methylcyclohexanone | C7H12O | 112.17 g/mol | CC1CCCC(=O)C1 | |
| TCMBANKIN012615 | xanthotoxol | Xanthotoxol; 8-Hydroxypsoralene; 9-hydroxy-7-furo[3,2-g]chromenone; Xanthotoxol (6CI); C00841; Psoralen, 8-hydroxy-; 6,7-Dihydroxy-5-benzofuranacrylic acid gamma-lactone; AIDS031343; EINECS 217-923-1; 9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one; 5-Benzofuranacrylic acid, 6,7-dihydroxy-, gamma-lactone (7CI); 2009-24-7; 8-hydroxypsoralen; NSC 401269; CHEBI:15709; SCHEMBL4383185; BRN 0189491; ST5308995; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-; 9-hydroxy-7H-furo[3,2-g]chromen-7-one; AIDS-031343; InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13; 2-Propenoic acid, 3-(6,7-dihydroxy-5-benzofuranyl)-, .delta.-lactone; ZINC00895404; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-; AKOS015961084; 5-19-06-00014 (Beilstein Handbook Reference); 9-hydroxyfuro[3,2-g]chromen-7-one; Dihydro-8-hydroxypsoralen; 8-Hydroxypsoralen; 8-Hydroxyfuranocoumarin; NSC401269; AC-13005 | C11H6O4 | 202.16 | C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O |
| TCMBANKIN013489 | (8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one | SMR000156216; (8S)-8-(1-hydroxy-1-methyl-ethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, (S)-; MLS000574835; 3804-70-4; (8S)-8-(1-hydroxy-1-methylethyl)-8,9-dihydrofuro[2,3-h]chromen-2-one | C14H14O4 | 246.26 | CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
| TCMBANKIN013893 | 2-methyl-4-(1,1-dimethylethyl) phenol | 2-methyl-4-(1,1-dimethylethyl)phenol; 2-methyl-4-(1,1-dimethylethyl)-phenol | CC1=C(C=CC(=C1)C(C)(C)C)O | ||
| TCMBANKIN014399 | Eremophilene | eremophilene | C15H24 | 204.35 | CC1CCC=C2C1(CC(CC2)C(=C)C)C |
| TCMBANKIN015005 | Durenol | 51002-84-7; 50356-14-4; CCRIS 5844; Phenol, 2,3,5,6-tetramethyl-; AG-777/36181010; 527-35-5; 2,3,5,6-Tetramethylphenol; EINECS 208-415-0; NSC 65612; Phenol, tetramethyl-; NSC65612; NCIOpen2_000269 | C10H14O | 150.22 | CC1=CC(=C(C(=C1C)O)C)C |
| TCMBANKIN015791 | (S)-()-2-Nonanol | (2S)-nonan-2-ol; 557978_ALDRICH | C9H20O | 144.25 | CCCCCCCC(C)O |
| TCMBANKIN015931 | Sphondin | Spectrum_000598; sphondin ; CCG-38810; SDCCGMLS-0066509.P001; CHEMBL1452868; MolPort-000-882-157; SR-01000711830-2; A4338/0184974; SPBio_001898; W1276; Sfondin; ZINC3197732; Spectrum3_001238; Spectrum5_000320; 6-Methoxy-2H-furo[2,3-H]chromen-2-one; NCGC00095567-02; ST097615; ST4140655; BRD-K33260002-001-02-0; 4CN-1365; 6-Methoxy-2H-furo(2,3-h)-1-benzopyran-2-one; BSPBio_002716; MLS000574845; 6-Methoxy-2H-furo[2,3-H]chromen-2-one #; KBioSS_001078; Spectrum4_001600; 4-methoxyfurano[2,3-h]chromen-8-one; SCHEMBL9794931; KBioGR_002220; NCGC00095567-01; SR-01000711830; KBio2_003646; HMS3340O03; DLCJNIBLOSKIQW-UHFFFAOYSA-N; 483-66-9; SpecPlus_000144; KBio3_002216; NCGC00178511-01; 6-methoxy-2-furo[2,3-h]chromenone; KBio2_001078; MCULE-1142431458; SMR000156215; BG01521509; Spectrum2_001759; sphondin; KBio2_006214; HMS2218E05; KBio1_001184; 6-Methoxyfuro[2,3-h]chromen-2-one; AC1L33CH; STK691970; VU0243951-5; 2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-; AKOS000277842; CHEBI:81486; SPECTRUM300005; CTK1D6743; DTXSID20197481; DivK1c_006240 | C12H8O4 | 216.19 | COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2 |
| TCMBANKIN016847 | Sylvestrene | 499-03-6; 1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE; 1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-; 1-methyl-3-(1-methylethenyl)cyclohexene; 3-Isopropenyl-1-methylcyclohexene; m-Mentha-1,8-diene, (.+/-.)-; A23140; 1-methyl-3-prop-1-en-2-ylcyclohexene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-; AC1Q2A53; Carvestren; m-Mentha-1,8-diene; Cyclohexene, 1-methyl-3-(1-methylethenyl)-; UXZIDIYMFIBDKT-UHFFFAOYSA-N; Carvestrene; sylvestrene; (+-)-Isosylvestrene; AC1L1V0T; 38738-60-2; 3-Isopropenyl-1-methyl-1-cyclohexene #; (+-)-m-Mentha-1,8-diene | C10H16 | 136.23 | CC1=CCCC(C1)C(=C)C |
| TCMBANKIN017180 | tiglic acid | NSC8999; trans-2,3-Dimethylacrylic acid; ST5307929; Tiglinic acid; alpha-Methylcrotonic acid, (E)-; trans-2-Methylcrotonic acid; EINECS 236-167-3; 2-methyl-2E-butenoic acid; 2-Butenoic acid, 2-methyl-, (E)-; alpha,beta-dimethyl acrylic acid; (E)-2-methylbut-2-enoate; 4-02-00-01552 (Beilstein Handbook Reference); A839954; alpha-methylcrotonic acid; EINECS 201-295-0; CHEBI:9592; Tiglinsaeure; C08279; (E)-2-Methylcrotonic acid; 2-Methyl-2-butenoic acid; 2-Butenoic acid, 2-methyl-; BRN 1236500; tiglicacid; trans-.alpha.,.beta.-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; NSC44235; 13201-46-2; (E)-2,3-Dimethylacrylic acid; 2-Methyl-2-butenoic acid, (E)-; FEMA No. 3599; (E)-2-Methylbut-2-enoic acid; Crotonic acid, 2-methyl-, (E)-; Cevadic acid; (2E)-2-methylbut-2-enoic acid; 89450_FLUKA; T35203_ALDRICH; 2-methylbut-2-enoic acid; 2,3-Dimethylacrylic acid, (E)-; AI3-36118; NSC 44235; 2-Butenoic acid, 2-methyl-, (E)- (9CI); (E)-2-methyl-2-Butenoate; 2-Butenoic acid, 2-methyl-, (2E)-; Tiglic acid; LMFA01020030; AC1ODZB2; trans-alpha,beta-Dimethylacrylic acid; W359904_ALDRICH; Crotonic acid, 2-methyl-; 80-59-1; trans-2-Methyl-2-butenoic acid; CHEBI:36432 | C5H8O2 | 100.12 g/mol | CC=C(C)C(=O)O |
| TCMBANKIN018050 | spicaledonine | C37H49NO10 | 667.8 g/mol | CC1C(=O)CC2C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C(C(C5=CC=CC=C5)N(C)C)O)C)OC(=O)C)OC(=O)C)OC(=O)C | |
| TCMBANKIN018352 | .alpha.-cis-bergamotene | (Z)-trans-.alpha.-bergamotene; l-trans-.alpha.-Bergamotene; (1S,5S,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene; bergamotene (Z,.alpha.,trans) | C15H24 | 204.35 | CC1=CCC2CC1C2(C)CCC=C(C)C |
| TCMBANKIN018519 | 2,8-dimethyl-undecanoic | ||||
| TCMBANKIN019349 | 2-nonanone | DTXSID2022125; FEMA No. 2785; 30642-09-2; Tox21_303845; TRA0044632; MFCD00009553; CAS-821-55-6; Heptyl methyl ketone; METHYL HEPTYL KETONE FCC; ACMC-209pnb; ANW-37509; 2- Nonanone; KSC220E7J; FT-0658401; 2-Nonanone, >=99%, FCC, FG; STL146543; 2-Nonanone, natural, >=97%, FCC, FG; N0293; 52000_FLUKA; 2-NONANONE; ST51047545; WLN: 7V1; Methyl heptyl ketone; ZE5K73YN2Z; W278505_ALDRICH; I14-4192; BG00600425; METHYL N-HEPTYL KETONE; KS-000011E9; A840259; NCGC00357115-01; VKCYHJWLYTUGCC-UHFFFAOYSA-N; NONANONE-2; RTR-025712; CHEMBL2228473; Nonanone; BBL011435; W278513_ALDRICH; AN-20502; Nonan-2-one; LS-2987; EINECS 212-480-0; UNII-ZE5K73YN2Z; AKOS005720803; SCHEMBL4089642; 63969_FLUKA; TR-025712; DSSTox_CID_2125; AS-10570; SCHEMBL626185; NSC-14760; .beta.-Nonanone; 2-Nonanone, >=99%; KB-25771; AC1L217X; ZINC1653216; AK325631; DSSTox_GSID_22125; Ketone, heptyl methyl; CHEBI:77927; NSC14760; n-HEPTYL METHYL KETONE; n-C7H15COCH3; 2-Nonanone (natural); NSC 14760; EN300-19772; MolPort-001-787-669; InChI=1/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H; 108731_ALDRICH; beta-Nonanone; RL05133; AC1Q2VVN; BRN 1743645; MCULE-9635928766; BB_SC-6918; LMFA12000052; SCHEMBL103970; SBB061540; 821-55-6; 2-Nonanone, analytical standard; NE10665; CTK1C0274 | C9H18O | 142.24 | CCCCCCCC(=O)C |
| TCMBANKIN019532 | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11) | 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone(ah11); 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone (ah11); 8-hydroxy-5-(6-hydroxy-4-oxo-2-phenethylchromen-5-yl)-2-phenethylchromen-4-one; AC1NSUX5; 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone(ah11) | C34H26O6 | C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O | |
| TCMBANKIN019741 | 49070_FLUKA | (−)-Globulol | C15H26O | 222.37 | |
| TCMBANKIN021928 | 3-methoxy-4-acetoxycinnamyl angelate | [(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester | C17H20O5 | 304.34 g/mol | CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC |
| TCMBANKIN022198 | 6-Methyl-1-thio-2,4-cyciohexadiene | 112.21 | |||
| TCMBANKIN022206 | isopimpinellin | 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI); isopimpinellin ; MLS000876836; KBioSS_001104; Isopimpinellin, analytical standard; NCGC00095569-02; SR-01000778471-2; NSC 401288; BRD-K72253829-001-02-8; NCI60_003765; 5,9-dimethoxy-2H-furo[3,2-g]chromen-2-one; NSC401288; 7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy-; 4CN-1065; 5, 8-Dimethoxypsoralene; 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-; SpecPlus_000154; KBio3_002204; 5,9-Dimethoxypsoralen; DFMAXQKDIGCMTL-UHFFFAOYSA-N; ST5308983; UNII-20GCF755G6; SMR000440593; BSPBio_002704; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 7H-Furo[3, 4,9-dimethoxy-; NSC217988; BRD-K72253829-001-03-6; 5,8-dimethoxypsoralen; DivK1c_006250; NSC-217988; CHEMBL140796; CHEBI:28853; Spectrum4_001442; I14-13386; SPECTRUM300012; TR-031106; Oprea1_593894; NSC-401288; InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3; SR-01000778471; C-14994; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; KBio1_001194; Spectrum3_001232; Dimethylpsoralen; ZINC00314951; CCRIS 4347; Q-100529; ZB010380; KBio2_003672; 4,9-dimethoxy-7-furo[3,2-g]chromenone; HMS2270M12; 4,9-Dimethoxy-7H-furo(3,2-G) (1)benzopyran-7-one; NCGC00095569-01; KBioGR_001923; W1277; MFCD00017407; AN-45204; LS-70709; CC-29668; MEGxp0_000706; DFMAXQKDIGCMTL-UHFFFAOYSA-; ACon1_002361; 482-27-9; CTK4J0725; MolPort-000-882-064; C02162; SC-97796; CCG-38585; MCULE-5163280216; AKOS000278000; ST50308983; SDCCGMLS-0066520.P001; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)(9CI); BDBM50361386; Spectrum_000624; Spectrum2_000308; NSC 217988; STK368476; KBio2_001104; 20GCF755G6; Isopimpinellin (4,9-Dimethoxypsoralen); 5,9-dimethoxyfurano[3,2-g]chromen-2-one; 5,8-Dimethoxy-6,7-furanocoumarin; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one #; DTXSID30197457; FT-0603412; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; I0861; BAS 00704724; Oprea1_132007; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; AC1Q6AY5; Spectrum5_000023; AC1L28ZK; Isopimpinellin; SPBio_000276; 5,8-Dimethoxypsoralene; 4,9-Dimethoxy-7-oxofuro[3,2-g]chromene; 5,8-Dimethoxypsoralen; SCHEMBL498907; AG-667/03555034; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; KBio2_006240; ZINC314951; NCGC00095569-03 | C13H10O5 | 246.22 | COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC |
| TCMBANKIN022599 | guanidine | Guanidine, Hydrochloride; GUANIDINE; AIDS122342; EINECS 204-021-8; 50-01-1 (HCL); 593-85-1 (CARBONATE, 2:1); Carbamidine; BRN 0506044; 4-03-00-00148 (Beilstein Handbook Reference); GAI; Aminoformamidine; AC1L9PJM; MOLI001910; 594-14-9 (SULFATE, 2:1); NSC7296 (SULFATE, 2:1); AIDS-122342; Imidourea; CHEBI:42820; Aminomethanamidine; Iminourea; Guanidin; Carbamamidine; H2N-C(=NH)-NH2; NCIOpen2_007946 | CH5N3 | 59.07 | C(=N)(N)N |
| TCMBANKIN024010 | cedryl acetate | 8-β-H-Cedran-8-ol acetate | C17H28O2 | 264.4 | CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C |
| TCMBANKIN025295 | methyl-2,4,6-trimethyl-decanoate | C14H28O2 | 228.37 g/mol | CCCCC(C)CC(C)CC(C)C(=O)OC | |
| TCMBANKIN026940 | o-Cresol, 6-ethyl- | ZINC02571305; 1687-64-5; 2-ethyl-6-methyl-phenol; Phenol, 2-ethyl-6-methyl-; ST5408891; 2-Ethyl-6-methylphenol | C9H12O | 136.19 | CCC1=CC=CC(=C1O)C |
| TCMBANKIN027269 | Thymonin | LMPK12111474; DTXSID90331895; 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4-chromenone; 5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7,8-dimethoxy-chromone; 5,6,4'-trihydroxy-7,8,3'-trimethoxyflavone; 5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7,8-dimethoxy-chromen-4-one; CHEBI:9582; thymonin; AC1L9D6E; BDBM50412267; 5,6-dihydroxy-2-7,8-dimethoxy-4h-1-benzopyran-4-one; CHEMBL478416; Majoranin; 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one; C10191; 76844-67-2; Mucroflavone B; 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxychromen-4-one; 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-chromen-4-one | C18H16O8 | 360.31 | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)O |
| TCMBANKIN028171 | Isobergapten | Spectrum_000630; NCGC00095572-03; isobergapten; UNII-27X3V737WH; Spectrum5_000029; AC1L28ZS; 5-Methoxy-2H-furo(2,3-h)-1-benzopyran-2-one; SCHEMBL2253427; KBio2_001110; HMS2201F13; ZINC1846642; 2H-Furo[2,3-h]-1-benzopyran-2-one,5-methoxy-; 5-Methoxy-2H-furo[2,3-H]chromen-2-one; NCGC00095572-02; CHEBI:81487; 27X3V737WH; AC1Q6BDY; AKOS000277832; Spectrum2_000313; 5-methoxy-angelicin; KBio1_001192; C-11619; 2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methoxy-; KBio2_006246; NCGC00095572-01; C18082; MEGxp0_000707; FT-0603415; Spectrum3_001226; 5-methoxyfurano[2,3-h]chromen-8-one; SpecPlus_000152; SR-01000721827; SMR000156214; 5-Methoxy-furo[2,3-h]chromen-2-one; AK144796; 2H-Furo(2,3-h)-1-benzopyran-2-one, 5-methoxy-; KBioSS_001110; 5-Hydroxyangelicin methylether; 5-methoxyfuro[2,3-h]chromen-2-one; AJ-31925; 5-methoxy-2-furo[2,3-h]chromenone; MolPort-000-882-155; KBioGR_001929; KBio2_003678; TX-017650; SR-01000721827-2; DivK1c_006248; AJSPSRWWZBBIOR-UHFFFAOYSA-N; HMS3330D17; 482-48-4; CHEMBL141690; ST24044839; ST50331507; MLS000574855; SDCCGMLS-0066519.P001; SPBio_000306; CJ-30271; 5-Methoxy-2H-furo[2,3-H]chromen-2-one #; X1164; CTK4J0734; ST5331507; DTXSID8075415; NCGC00178537-01; BSPBio_002672; SPECTRUM300032; Spectrum4_001445; 5-Methoxyangelicin; CCG-38589; 5-methoxy-2h-furo[2,3-h]chromen-2-on; MFCD00016756; KBio3_002172; BRD-K31678817-001-02-0; Isobergaptene | C12H8O4 | 216.19 | COC1=C2C=CC(=O)OC2=C3C=COC3=C1 |
| TCMBANKIN029293 | Ethol | Adol 54; 124-29-8; C00823; Hyfatol; 4-01-00-01876 (Beilstein Handbook Reference); Cetylic alcohol; Cetaffine; 8032-16-4; Cyclal cetyl alcohol; N-Hexadecanol; 36311-34-9; Normal primary hexadecyl alcohol; Cetanol (JP15); Ethal; Isocetyl alcohol; Hexadecanol (VAN); n-Hexadecan-1-ol; Adol 520; n-Cetyl alcohol; Aldol 54; Siponol CC; AI3-00755; Loxanol K; Loxanwachs SK; Hexadecan-1-ol; Atalco C; AIDS-471017; Cetyl alcohol; 36653-82-4; EINECS 253-149-0; Hexadecyl alcohol, normal; HSDB 2643; Fatty alcohol(C16); Cetylalkohol; 8023-37-8; FEMA No. 2554; H6800_SIAL; EINECS 252-964-9; Alfol 16; 1-Cetanol; BRN 1748475; Cachalot C-52; Lorol 24; 258741_ALDRICH; 52238_FLUKA; NCGC00159368-03; NCGC00159368-04; C16 alcohol; 8014-51-5; NSC 4194; CHEBI:16125; Product 308; Crodacol-CAS; EPA Pesticide Chemical Code 001508; Elfacos C; Cetylol; Cachalot C-50; Cetal; InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H; Crodacol C; 16-Hexadecanol; 1-Hexanedecanol; n-1-Hexadecanol; 8032-89-1; EPAL 16NF; W255408_ALDRICH; 55069-45-9; D00099; 8032-17-5; NSC4194; Adol 52NF; Adol 52 NF; Hyfatol 16; 1-Hexadecyl alcohol; Isohexadecyl alcohol; Adol 52; Cetalol CA; Cetanol (TN); 1-Hexadecanol; 68824_FLUKA; Cetanol; LMFA05000061; NCGC00159368-02; Caswell No. 165D; CO-1695; Siponol wax-A; FEMA Number 2554; Alcohol C-16; CO-1670; Cachalot C-51; Isohexadecanol; Cetyl alcohol (hexadecanol); 1-Hexadecyl alc; ST075158; Lanol C; Hexadecanol; Hexadecyl alcohol; 03884_FLUKA; SSD RP; Dytol F-11; Palmityl alcohol; N-Hexadecyl alcohol; Cetyl alcohol (NF); AIDS471017; Crodacol-CAT; Loxanol K extra | C16H34O | 242.44 g/mol | CC(C)CCCCCCCCCCCCCO |
| TCMBANKIN031142 | Doederleinic acid | (1S,2S,6R)-2-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-4-carboxylic acid; doederleinicacid; AC-20220; AKOS015965181; doederleinic acid | C7H8O4 | 156.14 | C1C2C(O2)C(C=C1C(=O)O)O |
| TCMBANKIN031290 | CRS | 3-methyl-1-hydroxybenzene; CPD-112; NCGC00159366-02; C85727_ALDRICH; W353000_ALDRICH; Metacresol; Rover's Dog Shampoo; m-Kresol [German]; CHEBI:17231; Metacresol [USAN]; WLN: QR C1; hydroxy-3-methylbenzene; m-Hydroxytoluene; m-cresylic; 65996_FLUKA; InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H; c0282; meta-cresylic acid; Caswell No. 261A; ZINC00897141; NCGC00159366-03; meta-cresol; m-toluol; m-oxytoluene; Phenol, 3-methyl-; HSDB 1815; 3-methylphenol; AI3-00136; m-Cresol [UN2076] [Poison, Corrosive]; NCGC00159366-05; 1-Methyl-3-hydroxybenzene; EINECS 203-577-9; Cresol, m-; m-cresylic acid; NSC8768; Franklin Cresolis; AIDS017739; m-Cresol, compd. With p-cresol (2:1); Metacresol (USP); 3-hydroxytoluene; CRESOL, META; Cresol, m-isomer; m-Cresole; D04951; EPA Pesticide Chemical Code 022102; NCGC00159366-04; m-methylphenol; FEMA No. 3530; 108-39-4; TOLUENE,3-HYDROXY (META-CRESOL); Celcure Dry Mix (chemicals for wood preserving); C01467; 15831-10-4; m-kresol; AIDS-017739; CCRIS 645; NSC 8768; 3-cresol; m-cresol; 1-hydroxy-3-methylbenzene; 442391_SUPELCO | C7H8O | 108.14 | CC1=CC(=CC=C1)O |
| TCMBANKIN032096 | triterpenoidsaponin | triterpenoid saponin | 767.07 | CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4(C6=CCC7(C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O | |
| TCMBANKIN032498 | anpubesol | NCGC00385681-01![2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate; AC1NSXUO; MCULE-3905357771; [2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbutanoate; NP-016229 | C20H26O7 | 378.4 g/mol | CC(C)CC(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O |
| TCMBANKIN032653 | Guaiol | Spectrum3_001870; Guai-1(5)-en-11-ol; NSC19941; SCHEMBL18965701; C09676; 489-86-1; 448575_ALDRICH; Guaiac alcohol; 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]-; 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; 38730A; Champacol; [3S-(3alpha,5alpha,8alpha)]-1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol; (−)-Guaiol; CHEBI:5552; BSPBio_003320; guaiol; 50900_FLUKA; 29242_FLUKA; SPECTRUM1800009; (3R,6S,10S)-6,10,alpha,alpha-Tetramethylbicyclo[5.3.0]dec-1(7)-ene-3-methanol; Champaca camphor; KBio3_002822 | C15H26O | 222.37 | CC1CCC(CC2=C1CCC2C)C(C)(C)O |
| TCMBANKIN033493 | 2-cyclohexyl-l-OL-benzoic acid ester | ||||
| TCMBANKIN036832 | daidzein | 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.238 | c1([H])c(C(=O)C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)c3c([H])c(O[H])c1[H] |
| TCMBANKIN037067 | β-Cedrene | beta-cedrene; DYLPEFGBWGEFBB-OSFYFWSMSA-N; CTK8F1427; A-Cedrene; (+)-; (+)-?-CEDRENE; 6QL7ERD5Q1; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-; AKOS015896901; 546-28-1; KB-62482; (+)-beta-Funebrene; (+)-beta-Cedrene, >=95.0% (sum of enantiomers, GC); 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-; UNII-6QL7ERD5Q1; (3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene,octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)-; (+)-beta-Cedrene; ZINC59778864; (+)-.beta.-Cedrene; (3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene; .beta.-Cedrene; EINECS 208-898-8; (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane; 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3alpha,3abeta,7beta,8aalpha))-; beta-Cedrene | 204.35 | ||
| TCMBANKIN037254 | columbianetin propionate | C17H18O5 | 302.32 g/mol | CCC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 | |
| TCMBANKIN037504 | β-Bisabolene | (1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- | 204.35 g/mol | ||
| TCMBANKIN037918 | Isopsoralidin | 1,2-Dideoxycorylidin; Isopsoralidin; AK-693/21124021; ZINC13408699; LMPK12090014 | 336.3 g/mol | ||
| TCMBANKIN038259 | Octanoic acid | octanoic acid ; O-octanoyl-L-carnitine; (3-carboxylato-2-octanoyloxy-propyl)-trimethyl-ammonium; octanoylcarnitine; (-)-Octanoylcarnitine; L-Carnitine octanoyl ester; UNII-S1HB7P0O16 component CXTATJFJDMJMIY-CYBMUJFWSA-N; L-Octanoylcarnitine; L-O-Octanoylcarnitine; O-octanoyl-(R)-carnitine; (3R)-3-octanoyloxy-4-(trimethylammonio)butanoate; Octanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; C02838; O-octanoyl-R-carnitine; Octanoyl-L-carnitine, >=97.0% (TLC); CHEBI:18102; LMFA07070002; SCHEMBL2915508 | C8H16O2 | 144.211 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H] |
| TCMBANKIN038742 | 2-Methyl-5-(1,5-dimethyl-3-hexenyl)-1,3-cyclo-hexadiene | ||||
| TCMBANKIN039458 | Methyl di-alpha-L-rhamnoside | Methyl 4-O-alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranoside; (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol; AC1NSYBT; methyl di-α-l-rhamnoside | C13H24O9 | 324.324 | [C@@]1([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O2)[C@]([H])(C([H])([H])[H])O1 |
| TCMBANKIN039519 | psoralen | ZB004095; InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6; 5-19-04-00445 (Beilstein Handbook Reference); s4737; A-Lactone; AK105376; 6-hydroxy-5-benzofuranacrylic acid gamma-lactone; Furocoumarin; Psoralen, >=99% (HPLC); 7H-Furo[3,2-g]chromen-7-one; KB-249864; MFCD00010520; Furo[4',5':6,7]coumarin; SMR000112587; 7H-Furo[3,2-g]benzopyran-7-one; Oprea1_841692; AKOS004110987; NSC404562; AX8034569; P2077; Manaderm (TN); AN-8451; C09305; LS-70690; Psoralene; FCH917722; EINECS 200-639-7; 6-Hydroxy-5-benzofuranacrylic acid beta-lactone; KS-00000KP0; ZCCUUQDIBDJBTK-UHFFFAOYSA-N; 7-furo[3,2-g]chromenone; ZINC120283; SC-18328; AC1L1M09; HSDB 3528; 7H-Furo[3,2-g][1]benzopyran-7-one; 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone; API0003973; 4CN-1081; AIDS038395; PHYTOALEXIN-CMPD; FT-0603268; Ficusin; UNII-KTZ7ZCN2EX; D00VUI; Furo[3,2-g]coumarin; 3-(6-Hydroxy-5-benzofuranyl)-2-propenoic Acid ; N1332; Psorline-P; MolPort-001-741-377; D08450; MEGxp0_001172; Furo[4',7]coumarin; 66-97-7; ANW-73223; CCRIS 4343; Psoralen; Bio-0831; SCHEMBL17835; KTZ7ZCN2EX; 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone; CTK2F4103; Furo(3,2-g)-coumarin; Furo[2'.3':7.6]coumarin; BDBM50331544; psoralen ; 2H-furo[3,2-g]chromen-2-one; CS-3756; 7H-Furo(3,2-g)(1)benzopyran-7-one; MLS001304059; NSC-404562; TNP00293; HY-N0053; 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone; NCGC00017351-03; 7H-Furo[3,2-g]chromen-7-one #; AIDS-038395; furano[3,2-g]chromen-2-one; P-7850; NCGC00142529-01; NCGC00017351-02; 010P520; AC-7968; RTX-010528; 7H-Furo[3,2-g][1]benzopyran-7-one, 9CI; 6-hydroxy-5-benzofuranacrylic acid delta-lactone; CHEMBL164660; 6,7-Furanocoumarin; CHEBI:27616; NSC 404562; I06-0551; 5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone; C-07470; Furo(4',5',6,7)coumarin; MCULE-2236160968; 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone; Psoralene (DCF); BRD-K47264279-001-01-4; pyrano[5,6-f]benzofuran-7-one; ZINC00120283; Furo(2',3',7,6)coumarin; CC-34001; Psoralen, analytical standard; DTXSID00216205; BRN 0152784; Psolaren; ST057250; ACon1_001579; HMS2267L05; 7-furo[3,2-g][1]benzopyranone; furo[3,2-g]chromen-7-one; Furo[2',3':7,6]coumarin; P8399_SIGMA; W1301; Manaderm; 7H-furo[3,2-g]chromen-7-one; Psoralen, 97%; A835599; ST24045730; AJ-11687; NCGC00017351-01 | C11H6O3 | 186.16 | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 |
| TCMBANKIN040054 | Cynanuriculoside A | cynanuriculoside a | C55H88O21 | 1085.43 | [C@@]1([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]3([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]4([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@ ]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]([H])(C([H])([H])[H])O4)[C@@]([H])(C([H])([H])[H])O3)[C@@]([H])(C([H])([H])[H])O2)C([H])([H])C([H])([H])[C@@]6(C ([H])([H])[H])C(=C([H])C([H])([H])[C@]7(O[H])[C@]6([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([C@@]([H])(O[H])C([H])([H])C8([H])[H])(C([H])([ H])C(=O)C([H])([H])[H])[C@@]78O[H])C1([H])[H] |
| TCMBANKIN040092 | isoammomareticin (2) | isoammomareticin(2) | |||
| TCMBANKIN041262 | isoimperatorin | AJ-19023; Oprea1_655950; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-; NCGC00180809-02!4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; Isoimperatorin, analytical standard; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; MCULE-5468436292; Iso-imperatorin; UNII-0ZMV066080; BDBM50242377; ZB010260; BG00617053; BRD-K40367461-001-01-0; ZINC00296185; ACN-035226; HMS2268M21; CS-5801; ACon1_000176; MLS001048978; MLS000574919; API0003033; Q-100533; Oprea1_630212; 4-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; Iso Imperatorin; isoimperatorin ; 4-[(3-METHYLBUT-2-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AN-8401; CTK4J0732; I06-0434; C16976; 7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; AB0019796; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; AIDS-071126; SCHEMBL15090959; IGWDEVSBEKYORK-UHFFFAOYSA-N; TR-031434; 482I451; NCGC00180809-01; 482-45-1; DTXSID60197460; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-; 4-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; AK-23906; Isoimperatorin; AC1Q6AY9; KS-00000NN4; MFCD00272155; 0ZMV066080; AC-8047; AX8008744; SMR000156243; CHEMBL448060; HY-N0286; CHEBI:66071; KB-294187; FT-0656369; 10-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; STOCK1N-27740; ZINC296185; N1746; ST24047429; 4-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; MolPort-001-740-269; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-; CI0035; V0302; 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]-; AIDS071126; 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; AKOS015895143; 4-(3-Methyl-but-2-enyloxy-furo[3,2-g]chromen-7-one; MEGxp0_000090; AC1L28ZP | C17H16O3 | 268.307 | c12c(c([H])c([H])o1)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3c(OC(=C([H])[H])C([H])=C3[H])c2O[H] |
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN042401 | 4,4,8-trimethyl-3beta,7alpha,23-trihydroxy-chola-14,24-dien-21-oic acid-21,23-lactone | 4,4,8-trimethyl-3β,7α,23-trihydroxy-chola-14,24-dien-21-oicacid-21,23-lactone; 3-[(3S)-3,7-dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(2-methylprop-1-enyl)oxolan-2-one; AC1NT18L | CC(=CC1CC(C(=O)O1)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C)C | ||
| TCMBANKIN042503 | 2-Methyl-5-(1,5-dimethyl-4-hexenyl)-1,3-cyclo-hexadiene | AC1NSYBQ; 2-methyl-5-[(E)-6-methylhept-4-en-2-yl]cyclohexa-1,3-diene | C15H24 | 204.351 | C([H])([H])([H])C([H])(\C([H])=C([H])\C([H])([H])[C@]([H])([C@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H] |
| TCMBANKIN042873 | Angelol K | 376.4 g/mol | |||
| TCMBANKIN043004 | Fungisterol | C28H48O | 400.7 g/mol | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H]) [H])C([H])([H])C2([H])[H])(C([H])([H])[H])[C@@]23[H])C3=C([H])C4([H])[H])[C@@]4([H])C([H])([H])[C@@]1([H])O[H] | |
| TCMBANKIN043057 | nodakenin | AIDS071124; 2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; SMR000232306; Nodakenetin, beta-D-glucopyranoside; (+)-Marmesinin; AIDS-071124; MEGxp0_001251; (2R)-2-[1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; 495-31-8; MLS000563463; 7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(.beta.-D-glucopyranosyloxy)-1- methylethyl]-2,3-dihydro-, (2R); C09279; Nodakenetin, b-D-glucopyranoside; (2R)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2R)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (2R)-; Nodakenin; AC1NSXVE | C20H24O9 | 408.4 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN043473 | daidzin | Daidzin; 1329-08-4; Daidzoside; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; 30408_FLUKA; MEGxp0_000530; C10216; LMPK12050013; Daidzein-7-O-beta-D-glucopyranoside; 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; NCGC00163532-01; BRN 0059741; 3-(4-hydroxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; SCHEMBL14477668; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Daidzein 7-glucoside; 552-66-9; 7-O-B-D-GLUCOPYRANOSIDE; CHEBI:42202; daidzein 7-O-beta-D-glucoside; 4-18-00-01808 (Beilstein Handbook Reference); Daidzein-7-glucoside; 28572-56-7; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; ACon1_002092; nchembio.2007.28-comp34; 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one; DZN; daidzin ; Daidzein 7-O-glucoside | C21H20O9 | 416.378 | C1([H])=C(c2c([H])c([H])c(O[H])c([H])c2[H])C(c3c(O1)c([H])c(O[C@]([H])(O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])c([H])c3[H])=O |
| TCMBANKIN043913 | psoralenol | 70522-30-4; 7-hydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one; Psoralenol; AC1NSZU1; LMPK12050036 | C20H18O5 | 338.4 g/mol | CC1(C(CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C |
| TCMBANKIN044214 | α-Patchoulene | KVQOADNSNSUAJT-UHFFFAOYSA-N; alpha-patchoulene; (1R,3aS,7S,8aR)-1,4,9,9-Tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1.alpha.,3a.alpha.,7.alpha.,8a.beta.)-; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a-hexahydro-1,4,9,9-tetramethyl-, (1R,3aS,7S,8aR)-rel-; alpha-Patchoulene; AC1LAVYC; .alpha.-Patchoulene; 1H-3a,7-Methanoazulene, 2,3,6,7,8,8a.alpha.-hexahydro-1.beta.,4,9,9-tetramethyl- | 204.35 | ||
| TCMBANKIN044529 | ostruthin | C09281; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2-chromenone; AIDS-073140; NCIOpen2_004557; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-2-chromenone; 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (9CI); Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-chromen-2-one; Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-; 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one; ostruthin; MEGxp0_001198; 2H-1-Benzopyran-2-one,6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-,(E)-; 148-83-4; ACon1_001218; 6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-coumarin; Ostruthine; NSC 83434; Coumarin, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- (8CI); AC1NSB5Q; 6-geranyl-7-hydroxycoumarin; NSC83434; 6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin; 6-Geranyl-7-hydroxycoumarin; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-chromen-2-one; AIDS073140; 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-coumarin | C19H22O3 | 298.376 | c1(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c([H])c(C([H])=C([H])C(=O)O2)c2c([H])c1O[H] |
| TCMBANKIN044722 | 4,4'-methylene bis[2,3,5,6-tetramethyl phenol] | 4-[2-(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]-2,3,5,6-tetramethylphenol; AC1NSYCI | CC1=C(C(=C(C(=C1CCC2=C(C(=C(C(=C2C)C)O)C)C)C)C)O)C | ||
| TCMBANKIN045107 | beta-Isobiotol | β-isobiotol | C15H24O | 220.35 | C1([H])([H])C([H])([H])C(=C([H])[H])[C@]2([H])C([H])([H])[C@@]13[C@]([H])(C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@](O[H])([H])[C@]3(C([H])([H])[H])[H] |
| TCMBANKIN045212 | Dipiperitylmagnolol | AC1NSUXK; 2-[2-hydroxy-3-[(1S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol; dipiperitylmagnolol | C38H50O2 | 538.8 g/mol | CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=C(C(=CC(=C3)CC=C)C4C=C(CCC4C(C)C)C)O)CC=C |
| TCMBANKIN045484 | Acenaphthene | Acenaphthylene, 1,2-dihydro-; 83-32-9; Ethylenenaphthalene; CHEBI:22154; NCGC00163966-01; CCRIS 5951; 215376_ALDRICH; 48643_SUPELCO; AI3-00128; 40001_SUPELCO; NSC7657; HSDB 2659; InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H; NSC 7657; A104_ALDRICH; Acenaphthene solution; Naphthyleneethylene; 1,2-Dihydroacenaphthylene; Acenaphthylene; AIDS017522; peri-Ethylenenaphthalene; 48500U_SUPELCO; 1,8-Ethylenenaphthalene; ST5186536; EINECS 201-469-6; AIDS-017522; 1,8-Dihydroacenaphthalene | C12H10 | 154.21 | C1CC2=CC=CC3=C2C1=CC=C3 |
| TCMBANKIN047685 | columbianetin | ZINC2392248; DTXSID30331738; CHEBI:3828; (R)-Columbianetin; columbianetin ; (-)-columbianetin; C09210; (8R)-8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one; (8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one; AC1L9C8Z; 8beta-(1-Methyl-1-hydroxyethyl)-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one; 52842-47-4; (8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one | C14H14O4 | 246.259 | C1(=O)C([H])=C([H])c(c([H])c([H])c(O[C@@]([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])c23)c3O1 |
| TCMBANKIN047826 | Eremophilenolide | (4aR,9aR)-4,4a,5,6,7,8,8abeta,9-Octahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(9aH)-one | 234.33 g/mol | ||
| TCMBANKIN048149 | β-Sesquiphellandrene | beta-sesqui-phellandrene; b-sesquiphellandrene; beta-sesquiphellandrene; beta-Sesquiphellandrene; β- sesquiphellandrene; beta-sesquiphellandrene ; β-sesqui-phellandrene | 204.35 | ||
| TCMBANKIN049068 | angelicone | angelicone; CHEMBL1399436; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one; JEDBBFHVVHKMKS-UHFFFAOYSA-N; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)chromen-2-one; 37719-98-5; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2-oxo-2H-chromene; AC1LDCYV; Glabralactone; HMS2197A08; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)-2H-chromen-2-one; 5,7-dimethoxy-8-(3-methyl-1-oxobut-2-enyl)-2-chromenone; SMR000156205; HMS3357G04; 5,7-dimethoxy-8-(3-methylbut-2-enoyl)coumarin; MLS000574874; 5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2H-chromen-2-one # | C16H16O5 | 288.295 | C1(=O)Oc(c(C(=O)\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC([H])([H])[H])c([H])c2OC([H])([H])[H])c2C([H])=C1[H] |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057964 | Immune globulin from;gaba;γ-aminobutyricacid;aminobutyric acid | γ-aminobutyric acid | C4H9NO2 | C(CC(=O)O)CN | |
| TCMBANKIN058229 | daidzein | Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.24 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| TCMBANKIN058264 | Skimmetin | Hydrangin; AI3-38054; ACon1_000219; Coumarin, 7-hydroxy-; SPBio_002083; H24003_ALDRICH; EINECS 202-240-3; CCRIS 3591; MEGxp0_000814; 7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-2-chromenone; BSPBio_002362; NSC19790; 7 HC; Spectrum2_001962; Hydrangine; NSC 19790; ST5308216; 93979_FLUKA; 5-18-01-00386 (Beilstein Handbook Reference); NCGC00095801-01; Skimmetine; BRN 0127683; SPECTRUM231084; beta-umbelliferone; 7-Hydroxycoumarin; Umbelliferon; 7-hydroxy-2H-chromen-2-one; CHEBI:27510; AIDS-005662; Umbelliferone; .beta.-Umbelliferone; Spectrum3_000751; 2H-1-Benzopyran-2-one, 7-hydroxy-; 7-Oxycoumarin; C09315; ZINC00058111; 7-hydroxychromen-2-one; NCI60_001646; 93-35-6; InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10; SDCCGMLS-0066941.P001; AIDS005662; KBio3_001582 | C9H6O3 | 162.14 | C1=CC(=CC2=C1C=CC(=O)O2)O |
| TCMBANKIN058317 | Diphencyprone;2,3-diphenyl-2-cyclopropen-1-one | Cyclopropenone, diphenyl- (8CI); CAS-886-38-4; ACMC-20al56; SCHEMBL105663; 2-Cyclopropen-1-one, 2,3-diphenyl- (9CI); SBB059194; MLS000758252; 2,3-diphenyl-cycloprop-2-en-1-one; NSC-57541; VZ22322; GEO-01240; MLS001424007; CHEMBL1373467; RTR-027871; CHEBI:53074; LS-58814; FT-0625256; Cyclopropenone, 2,3-diphenyl-; 4CH-019767; diphenylcycloprop-2-en-1-one; I7G14NW5EC; BBL007727; DSSTox_CID_26545; AKOS005257686; HMS2051I09; CCG-55613; InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10; TRA0065309; AX8125871; MFCD00001311; PS-4199; 2-Cyclopropen-1-one, 2,3-diphenyl-; 2,3-Diphenylcyclopropenone; D02XXT; Cyclopropenone,3-diphenyl-; 2,3-Diphenylcycloprop-2-en-1-one; KS-00001966; 2,3-Diphenyl-2-cyclopropen-1-one, 99% dry weight, may contain up to 5% water 1g; HMS2231A10; 2-Cyclopropen-1-one,3-diphenyl-; ST24038568; BG01516108; MolPort-001-762-066; AK159241; CPD000449319; AD-310/30361065; AC1L22HV; DPCP; NC00029; SAM001247027; SR-01000644630-1; UNII-I7G14NW5EC; Tox21_112322; SMR000449319; HMS547D03; Diphenylcyclopropenone, purum, >=98.0% (HPLC); OR22091; ZX-AT006360; DSSTox_GSID_46545; Diphenylcyclopropenone, 98%; Diphenylcyclopropenone; Diphencyprone; CTK3J1964; 1,2-Diphenylcyclopropen-3-one; HCIBTBXNLVOFER-UHFFFAOYSA-N; ST50319444; 886-38-4; Tox21_112322_1; KM2694; NSC 57541; EINECS 212-948-4; Epitope ID:113236; Cyclopropenone, diphenyl-; HMS3393I09; MCULE-6674594079; NCGC00166113-01; NSC57541; I14-48040; KB-87826; 2,3-Diphenylcycloprop-2-enone; DSSTox_RID_81708; NCGC00166113-02; Maybridge1_002005; W-200519; 2,3-diphenyl cyclopropenone; 2,3-Diphenyl-2-cyclopropen-1-one; STK289679; DB12173; DTXSID2046545; NCGC00166113-04 | C15H10O | 206.24 g/mol | C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3 |
| TCMBANKIN058397 | PEY | AIDS017523; Phenanthrene, pure; Phenanthrene; Phenanthracene; 48569_SUPELCO; 77470_FLUKA; EINECS 201-581-5; NSC 26256; AIDS-017523; CCRIS 1233; HSDB 2166; P11425_ALDRICH; WLN: L B666J; Phenanthren; 85-01-8; c0431; CHEBI:28851; Phenanthren [German]; 9,10-Dehydrophenanthrene; C11422; Ravatite; 260878_ALDRICH; NCGC00091177-02; Phenanthrin; Phenanthrene solution; 40079_SUPELCO; NCGC00091177-01; NSC26256; PHENANTHRENE-RING; Coal tar pitch volatiles: phenanthrene; InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10; 48661_SUPELCO; AI3-00790; P11409_ALDRICH; CTK7C1431; 1-BROMO-6-FLUORO-3,4-DIHYDRO-PHENANTHRENE; AKOS015963696; phenanthrene | C14H10 | 178.23 g/mol | C1=CC=C2C(=C1)C=CC3=CC=CC=C32 |
| TCMBANKIN058428 | isopsoralen | Sobatum; 2H-furo[2,3-h]chromen-2-one; (-)-; Furo[5',4':7,8]coumarin; 5-19-04-00447 (Beilstein Handbook Reference); 24-alpha-Ethylcholesterol; (24R)-Stigmast-5-en-3; Clionasterol; g-Sitosterol; ZINC6393492; A)-Stigmast-5-en-3-ol; NSC404563; 2H-Furo[2,3-h]-1-benzopyran-2-one; A-ol; delta5-Stigmasten-3-beta-ol; HSDB 3554; CHEBI:132823; EINECS 201-481-1; 24beta-Ethyl-5-cholesten-3beta-ol; 24S-Ethylcholest-5-en-3b-ol; CTK3E8527; Angelicin; Stigmast-5-en-3-beta-ol; 4-Hydroxy-5-benzofuranacrylic acid gamma-lactone; Angelicin (coumarin derivative); Poriferast-5-en-3beta-ol; Prostasal; CCRIS 4276; Isopsoralen; GAMMA-SITOSTEROL; AC-11107; .beta.-Dihydrofucosterol; furo[2,3-h]chromen-2-one; EINECS 201-480-6; angelicin ; (24S)-stigmast-5-en-3beta-ol; Betaprost; 24b-Ethylcholesterol; Stigmast-5-en-3-ol, (3.beta.,24S)-; 22,23-Dihydroporiferasterol; 39310-13-9; NSC 8096; Stigmast-5-en-3; 24-ethylcholest-5-en-3 beta-ol; Angelicin (coumarin deriv); ST023306; A-Ethylcholesterol; .gamma.-Sitosterol; KZJWDPNRJALLNS-OAIXMFQVSA-N; 24S-Ethylcholest-5-en-3.beta.-ol; beta-Dihydrofucosterol; Stigmast-5-en-3-ol, (3beta,24S)-; Oprea1_022970; C19654; CHEMBL393008; 2H-Furo(2,3-h)(1)benzopyran-2-one; (3-beta)-Stigmast-5-en-3-ol; ZINC00073700; AI3-26020; stigmast-5-ene-3beta-ol; LMST01040122; NSC 404563; 11027-08-0; NSC 18173; 8005-42-3; Angelicin plus ultraviolet A radiation [Angelicins]; b-Dihydrofucosterol; CCRIS 5529; (3beta,24S)-Stigmast-5-en-3-ol; CHEBI:28928; 24.beta.-Ethyl-5-cholesten-3.beta.-ol; BRN 0153970; 24.beta.-Ethylcholesterol; 24beta-Ethylcholesterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Furo(5',4':7,8)coumarin; 4736-89-4; A-Sitosterol; AC1L9X94; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, .delta.-lactone; 2-furo[2,3-h]chromenone; Furo(2,3-h)coumarin; 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, delta-lactone; 3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid gamma-lactone; isopsoralen; 2H-Furo(2,3-H)-1-benzopyran-2-one; 5LI01C78DD; A0956_SIGMA; Angecin; Ambotz83-46-5; 24b-Ethylcholest-5-en-3b-ol; 24S-Ethylcholest-5-en-3beta-ol; UNII-5LI01C78DD; 523-50-2; 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran; 83-47-6; Stigmast-5-en-3-ol, (3b,24S)-; Stigmast-5-en-3.beta.-ol, (24S)-; 5-Stigmasten-3; Fucosterol, .beta.-dihydro-; C09060; sitosterol, (3beta)-isomer; LS-1826; AKOS025401337; (24R)-Ethylcholest-5-en-3; SCHEMBL219424 | C11H6O3 | 186.16 g/mol | C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3 |
| TCMBANKIN058761 | (E)ocimene | (E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene | C10H16 | 136.23 g/mol | CC(=CCC=C(C)C=C)C |
| TCMBANKIN058793 | osthol | Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; AIDS-221947; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; Osthole isolated from Scutellaria baicalensis; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; AIDS-104947; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; ZINC00000566; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; 7-methoxy-8-(3-methylbut-2-enyl)-2-chromenone; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-enyl)coumarin; AIDS104947; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; AIDS221947; KBioGR_001954; osthol ; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-; NCGC00095694-03; AB0021820; BB_NC-1338; 7-methoxy-8-(3-methyl-2-butenyl)coumarin; ZB000125; Osthole; EBD33224; MEGxp0_000155; s2337; CHEBI:69832; 4CN-0704; 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #; HMS2267O21; BG00609801; LS-55250; Ostol; NCGC00095694-02; MFCD00076049; 484-12-8; J10077; CO0040; ACon1_002155; Osthol; Spectrum3_001645; NSC 31868; C15H16O3; BSPBio_003369; AC-8041; BAS 00015470; Oprea1_642606; CS-2125; MolPort-000-881-851; FT-0082540; SCHEMBL50436; Cnidium Fruit Extract; NCGC00095694-01; AC1L1UR5; ZINC566; osthol; Spectrum4_001687; KBio2_007158; DTXSID20197507; Spectrum_001542; UNII-XH1TI1759C; BDBM50240512; W1256; Osthole (Osthol); A827530; BRD-K78294846-001-03-3; SMR000156202; NCGC00095694-05; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)- (9CI); SR-01000721624-4; 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one; KBioSS_002022; InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H; CC-33366; Q-100535; Oprea1_873803; osthole ; KBio2_002022; 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN; CCG-40172; I06-0435; 7-methoxy-8-[3-methylpent-2-enyl]coumarin; C09280; 8-(3-Methyl-2-butenyl)herniarin; FT-0601535; ANW-50075; DS-0881; NSC31868; XH1TI1759C; ST2412572; HY-N0054; HMS3656A07; WLN: T66 BOVJ IO1 J2UY1&1; KB-250032; SDCCGMLS-0066780.P001; BBL013019; ST50909221; SPECTRUM1504165; C-14815; SpecPlus_000946; AX8007596; MLS006011425; BR-35300; AJ-07908; O0426; Spectrum2_000723; 7-Methoxy-8-isopentenylcoumarin; CTK7A8592; DivK1c_007042; 7-methoxy-8-isopentenoxycoumarin; 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-; Ostole; AK-35300; N1825; KS-00000N3A; SPBio_000646; Osthole, European Pharmacopoeia (EP) Reference Standard; 484O128; 1440642-68-1; STK396321; 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one; MBRLOUHOWLUMFF-UHFFFAOYSA-N; SR-01000721624; RP28651; 7-methoxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one; Osthole, primary pharmaceutical reference standard; CHEMBL52229; MLS001048988; 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one; TR-017689; NSC-31868; RTR-017689; Osthole, analytical standard; S-3211; Spectrum5_000334; MLS000574904; AKOS000277663; 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one; CJ-00015; KBio2_004590; KBioGR_001954; KBio1_001986; MCULE-5691054147; KBio3_002589; AN-8395; ostole;osthole | C15H16O3 | 244.28 g/mol | CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
| TCMBANKIN058840 | angelin | umbelliprenin2021/11/13; 532-16-1; (E,E)-7-((3,7,11-Trimethyl-2,6,10-dodecatrienyl)oxy)-2H-1-benzopyran-2-one; ZINC02126785; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)coumarin; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one; A1784/0075600; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 30413-87-7; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one | C24H30O3 | 366.5 g/mol | CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C |
| TCMBANKIN058906 | imperatorin | HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; 8-isopent-2-enyloxy-6,7-furanocoumarin; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g][1] benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; imperatorin ; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; AIDS071128; MLS000574838; ZINC00001904; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; SpecPlus_000755; Spectrum_000755; KBioGR_001864; KBio2_001235; EINECS 207-581-1; Pentosalen; SPBio_000531; KBio2_006371; SMR000156241; WLN: T C566 DO LVOTJ BO2UY1&1; Spectrum5_000244; KBio2_003803; AI3-61725; Spectrum3_000145; NCGC00095209-02; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g]chromenone; CCRIS 4346; Imperatorin; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; SPECTRUM102076; HSDB 3497; C09269; AIDS-071128; KBio1_001795; 8-Isoamylenoxypsoralen; NSC 402949; NSC402949; MEGxp0_000089; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; KBioSS_001235; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; Oprea1_407817; 482-44-0; Spectrum4_001422; Marmelosin; NCGC00095209-01; SDCCGMLS-0066373.P001; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; ST5308976; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; 5-Benzofuranacrylic acid, 6-hydroxy-7-[(3-methyl-2-butenyl)oxy]-, .delta.-lactone; DivK1c_006851; Spectrum2_000376; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; 70102-00-0; BSPBio_001850; HY-N0285; I06-0320; 9-[(3-METHYL-2-BUTEN-1-YL)OXY]-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; BDBM50308719; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-buten-1-yl)oxy]-; SpecPlus_000755; DSSTox_CID_28663; Imperatorin, European Pharmacopoeia (EP) Reference Standard; EINECS 207-581-1; ZB000436; KBio2_006371; SMR000156241; 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g]chromen-7-one #; AI3-61725; AC1L1UPZ; 9-(3-methylbut-2-enyloxy)furano[3,2-g]chromen-2-one; NCGC00095209-04; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; KBio1_001795; 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone; Marmelide; ACon1_001117; 6-Hydroxy-7-(3-methyl-2-butenyloxy)-5-benzofuranacrylic acid omega-lactone; (9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one); 9-[(3-Methyl-2-butenyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 9CI; Pentasalen, BAN; AC-8046; 9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-; Marmelosin; NCGC00095209-01; CAS-482-44-0; InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H; 8-isopentenyloxypsoralen; Bio-0346; AN-8400; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, delta-lactone; DivK1c_006851; 5-Benzofuranacrylic acid, 6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, .delta.-lactone; CCG-38649; LS-70737; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; ST45000841; HMS3354E04; SR-01000721772-2; 9-((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one; KBio3_001050; 9-[(3-Methyl-2-butenyl)-oxy]-7H-furo[3,2-g][1][benzopyran-7-one; NCGC00095209-06; Spectrum_000755; KBioGR_001864; HMS3261C08; Pentosalen; OLOOJGVNMBJLLR-UHFFFAOYSA-N; CTK5J8942; WLN: T C566 DO LVOTJ BO2UY1&1; C-16983; NCGC00095209-02; A827504; 9-[(3-methylbut-2-en-1-yl)oxy]-2H-furo[3,2-g]chromen-2-one; SPECTRUM102076; NSC402949; Imperatorin, >=98% (HPLC), powder; MEGxp0_000089; Marmelosin, analytical standard; NCGC00095209-03; FT-0603414; 9-[(3-Methylbut-2-enyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 7H-Furo[3, 9-[(3-methyl-2-butenyl)oxy]-; 8-(3-Methyl-2-butenyloxy)psoralen; KBioSS_001235; K713N25C78; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; SDCCGMLS-0066373.P001; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; SCHEMBL50437; Tox21_500413; N1859; Spectrum2_000376; 9-[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; MFCD00016881; MLS000574838; KBio2_001235; LP00413; API0002987; 9-(3-Methyl-2-butenyloxy)-7-oxofuro[3,2-g]chromene; Pentosalen [BAN]; Ammidin; Spectrum5_000244; DTXSID8048737; DSSTox_GSID_48737; 8-Prenyloxypsoralen; HSDB 3497; BG01563273; 8-Isoamylenoxypsoralen; NSC 402949; CHEMBL453805; CC-29497; Enoxypsoralen; 5-hydroxy-8-(1,1-dimethylallyl)psoralen; NSC-402949; 8-Isopentenyloxypsoralene; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; Q-100532; I0904; 9-((3-Methyl-2-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; 482-44-0; DSSTox_RID_82933; UNII-K713N25C78; TR-036857; W1274; Tox21_113179; NCGC00169661-02; IMPERATORIN; ZINC1904; HMS2218G08; SR-01000721772; Tox21_113179_1; SPBio_000531; CS-5800; KBio2_003803; MCULE-3248623364; Spectrum3_000145; HMS1922N22; CCRIS 4346; C09269; SC-16643; NCGC00095209-05; 482I440; NCGC00261098-01; NCGC00169661-01; MolPort-000-881-264; Oprea1_407817; AKOS000277029; Spectrum4_001422; 9-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; D09ROW; CHEBI:5885; CI0030; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-; 70102-00-0; BSPBio_001850; Ammidin; imperatorine | C16H14O4 | 270.28 g/mol | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
| TCMBANKIN058973 | O-Acetylcolumbianetin;o-acetyl-columbianetin;columbianetin acetate | 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; acetic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester; acetic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl acetate; ZINC05166472; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl ethanoate; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] acetate;2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-, (8S)-; COLUMBIANETINACETATE; 2-[(8s)-2-oxo-8,9-dihydro-2h-furo[2,3-h]chromen-8-yl]propan-2-yl acetate; BG00998239; (8S)-columbianetin acetate; AC1L4PDJ; 8077AH; AKOS015896724; AK608209; columbianetin acetate ; 23180-65-6; 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate; 180C656; DTXSID90177755; ZINC5166472; CHEBI:132626; O-Acetylcolumbianetin; ACM23180656; Columbianetin acetate; CTK4F1041; I07-0184; MolPort-020-005-952; SCHEMBL12247775; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-; AC1Q6BDX; (8S)-O-acetylcolumbianetin; 2-[(8S)-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-8-YL]PROPAN-2-YL ACETATE; 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate; FT-0624032 | C16H16O5 | 288.29 g/mol | CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| TCMBANKIN059099 | Marmesine;nodakenetin | (2R)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (S); C09278; (2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; STOCK1N-61085; AIDS071123; ZINC00051923; 495-32-9; marmesine; NSC 340840; AIDS-071123; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-; CCRIS 5728; 1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 7H-furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-; (S)-Marmesin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (R)-; (-)-Marmesin; Nodakenitin; 2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2g][1]-benzopyran-7-one, (-2,3-dihydro-2-(1-hydroxy-1-hydroxymethylethyl)-, (R); (R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; Nodakenetin;ST4038313; FWYSBEAFFPBAQU-UHFFFAOYSA-N; ( inverted exclamation markA)-Marmesin; MCULE-3188434807; BAS 00015462; 2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one; 2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Marmesin; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one; SCHEMBL546574; 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one; Oprea1_172287; AC1LCPS5; AKOS022062475; HMS1672K17; MolPort-001-913-428; 2'-(1''-Hydroxy-1''-methylethyl)-psoralen; STK396315; A1784/0075601; 2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one #; 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7h-furo[3,2-g][1]benzopyran-7-one; 13710-70-8; InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H; (S)-Marmesin; CHEBI:49080; Oprea1_468691; 7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one; Q-100147; ST097606; AKOS000546749; 2-(1-hydroxy-isopropyl)-2,3-dihydrofurano[3,2-g]chromen-7-one | C14H14O4 | 246.26 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O |
| TCMBANKIN059100 | Ammijin | 27497-13-8; Ammajin; marmesinin, 7H-Furo(3,2-g)(1)benzopyran-7-one, A-d-glucopyranoside; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; MolPort-039-338-572; 2-[(2s)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl ; Ammajin; ZINC31597169; AC1Q6A35; CHEBI:132401; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (-)-Marmesinin; 1C1VEU88IF; 495-30-7; Marmesinin; (-)-marmesin beta-D-glucoside; Ammijin; 7h-furo benzopyran-7-one,2-(1-2,3-dihydro-, -; 27497-13-8; UNII-1C1VEU88IF; AC1L50FF; 2-[(2S)-7-oxo-2,3-dihydro-7H-furo[3,2-9][1]benzopyran-2-yl]propan-2-yl beta-D-glucopyranoside; 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (S)-; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (S)-2-(1-(beta-D-Glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one; 495-30-7; (-)-Marmesinin; (2S)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; (2S)-2-[1-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one | C20H24O9 | 408.4 | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN059178 | benzaldehyde,4-(1-methylethyl) | P-ISOPROPYLBENZALDEHYDE; 4(2-propyl)-benzaldehyde; NSC-4886; 4-(Methylethyl)benzaldehyde; 4-propan-2-ylbenzaldehyde; 4-isopropylbenzaldehyde; NSC4886; WTWBUQJHJGUZCY-UHFFFAOYSA-N; EINECS 204-516-9; (4-isopropyl-phenyl)-methanone; p-Cuminic aldehyde; AJ-24583; KB-39398; AC1Q1P0K; p-(1-methylethyl)benzaldehyde; ZB015528; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; ACMC-1BVEJ; Cumal; C06577; NSC 4886; cumaldehyde; MCULE-4415970320; RP21225; SBB040237; ST50213395; DTXSID9021974; Cumin aldehyde; BDBM50139366; SCHEMBL87226; P-isopropyl benzaldehyde; 4-Isopropyl-benzaldehyde; NCGC00257518-01; TR-030618; cuminic aldehyde; NCGC00248148-01; FEMA No. 2341; 4-(isopropyl)benzaldehyde; LS-2642; p-Isopropylbenzenecarboxaldehyde; CJ-04641; Cuminaldehyde, 98%; AI3-01853; 122-03-2; UNII-O0893NC35F; ANW-17932; p-Isopropylbenzaldehyde, f; 4-(Propan-2-Yl)Benzaldehyde; bmse000508; FT-0624115; 4(isopropyl)benzaldehyde; AN-13943; RTR-030618; Cuminal p-(1-methylethyl)benzaldehyde; KSC176K3D; Cuminadlehyde; DSSTox_RID_76435; ST2418438; MolPort-000-871-215; Cuminaldehyde, analytical standard; p-iso-Propylbenzaldehyde; AC1L18ZP; AS-12957; F2190-0632; EC 204-516-9; ZINC968248; 4-iPr-Benzaldehyde; DSSTox_CID_1974; p-cumic aldehyde; DB-041645; I0168; cuminaldehyde; CHEBI:28671; W-108440; CTK0H6531; AC1Q1ONB; AK-44502; 4-isopropyl benzaldehyde; Cuminyl aldehyde; 4isopropylbenzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; 4-Isopropylphenylcarboxaldehyde; p-isopropyl-benzaldehyde; Benzaldehyde, p-isopropyl-; p-isopropyl benzaldehyde; Cuminaldehyde, >=98%, FCC, FG; I01-7253; Cumic aldehyde; O0893NC35F; 4-Isopropylbenzenecarboxylate; 4-07-00-00723 (Beilstein Handbook Reference); CHEMBL161577; AKOS000119738; BRN 0636547; DSSTox_GSID_21974; Tox21_300712; Cuminaldehyd; MFCD00006953; AC-2430; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; cuminal; CAS-122-03-2; WLN: VHR DY1 & 1;FEMA No. 2341; ZB015528; W-108440; CAS-122-03-2; InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H; P-ISOPROPYLBENZALDEHYDE; Cumal; C06577; LS-2642; DSSTox_GSID_21974; I01-7253; 4(2-propyl)-benzaldehyde; Cumic aldehyde; TR-030618; EC 204-516-9; Cuminaldehyde, >=98%, FCC, FG; 4-07-00-00723 (Beilstein Handbook Reference); 4(isopropyl)benzaldehyde; DTXSID9021974; CTK0H6531; SCHEMBL87226; KSC176K3D; BRN 0636547; AN-13943; Cumin aldehyde; 122-03-2; P-isopropyl benzaldehyde; MFCD00006953; BDBM50139366; AKOS000119738; p-Isopropylbenzaldehyde, f; AK-44502; p-Isopropylbenzenecarboxaldehyde; AS-12957; EINECS 204-516-9; ZINC968248; Tox21_300712; 4-propan-2-ylbenzaldehyde; cuminic aldehyde; AC1Q1P0K; ST50213395; I0168; CHEMBL161577; NSC-4886; MolPort-000-871-215; p-cumic aldehyde; NCGC00248148-01; 4-iPr-Benzaldehyde; 4-isopropyl benzaldehyde; ACMC-1BVEJ; Cuminaldehyde, 98%; p-(1-methylethyl)benzaldehyde; NSC4886; 4-Isopropyl-benzaldehyde; AJ-24583; Cuminyl aldehyde; 4-isopropylbenzaldehyde; 4-(Methylethyl)benzaldehyde; FT-0624115; MCULE-4415970320; DSSTox_CID_1974; 4-(1-Methylethyl)benzaldehyde; p-isopropyl-Benzaldehyde; Cuminaldehyde, analytical standard; RTR-030618; AC1Q1ONB; F2190-0632; UNII-O0893NC35F; WLN: VHR DY1 & 1; 4-(isopropyl)benzaldehyde; cuminaldehyde; bmse000508; (4-isopropyl-phenyl)-methanone; RP21225; Cuminadlehyde; 4-(Propan-2-Yl)Benzaldehyde; Benzaldehyde, 4-(1-methylethyl)-; ST2418438; WTWBUQJHJGUZCY-UHFFFAOYSA-N; AC-2430; p-iso-Propylbenzaldehyde; Benzaldehyde, p-isopropyl-; 4-Isopropylbenzenecarboxylate; cuminal; NCGC00257518-01; SBB040237; 4-Isopropylphenylcarboxaldehyde; NSC 4886; p-Cuminic aldehyde; KB-39398; AI3-01853; AC1L18ZP; O0893NC35F; Cuminaldehyd; ANW-17932; DSSTox_RID_76435; Cuminal p-(1-methylethyl)benzaldehyde; DB-041645; CHEBI:28671; 4isopropylbenzaldehyde; CJ-04641 | C10H12O | 148.2 g/mol | CC(C)C1=CC=C(C=C1)C=O |
| TCMBANKIN059188 | beta-Terpinene | 1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) | C10H16 | 136.23 | CC(C)C1=CCC(=C)CC1 |
| TCMBANKIN059363 | angelidiol; heramandiol | C14H14O5 | 262.26 g/mol | CC(CO)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O | |
| TCMBANKIN059373 | Zosimin | 2-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate; Columbianadin; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-; SMR000156217; (Z)-2-methylbut-2-enoic acid [1-[(8S)-2-keto-8,9-dihydrofuro[5,4-h]chromen-8-yl]-1-methyl-ethyl] ester; [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate; 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-; 5058-13-9; AIDS071122; MLS000574825; AIDS-071122; (Z)-2-methylbut-2-enoic acid [1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-8-yl]ethyl] ester;columbianadin;HMS3351K09 | C19H20O5 | 328.36 g/mol | CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| TCMBANKIN059374 | angelol h | Angelol D;Angelol H; HMS2213D07; MLS002472945; angelol d; 83247-73-8; SMR001397053; CHEMBL1555302 | C20H24O7 | 376.4 | CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O |
| TCMBANKIN059396 | Tigloidine;3alpha-Tigloyloxytropane | tigloidine;3alpha-tigloyloxytropane | C13H21NO2 | 223.31g/mol | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| TCMBANKIN059511 | Benihinal | C10H14O | 150.22 g/mol | CC1(C2CC=C(C1C2)C=O)C | |
| TCMBANKIN059521 | B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene | C10H16 | 136.23 g/mol | CC1(C2CCC(=C)C1C2)C | |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059836 | thymol | C10H14O | 150.22 | CC1=CC(=C(C=C1)C(C)C)O | |
| TCMBANKIN059842 | o-Acetyl-p-cresol | C9H10O2 | 150.17 g/mol | CC1=CC(=C(C=C1)O)C(=O)C | |
| TCMBANKIN059899 | taraxanthin | C40H56O3 | 584.9 g/mol | CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O | |
| TCMBANKIN059905 | p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene | C10H14 | 134.22 g/mol | CC1=CC=C(C=C1)C(C)C | |
| TCMBANKIN059907 | (+)-alpha-Curcumene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C(C)CCC=C(C)C | |
| TCMBANKIN059908 | xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C | |
| TCMBANKIN059912 | p-cresol | C7H8O | 108.14 g/mol | CC1=CC=C(C=C1)O | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN059960 | (-)-g-cadinene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=C)CCC2C(C)C | |
| TCMBANKIN059970 | 1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene | C10H16 | 136.23 g/mol | CC1=CCC(=CC1)C(C)C | |
| TCMBANKIN059974 | alpha-phellandrene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C | |
| TCMBANKIN059975 | β-humulene | C15H24 | 204.35 | CC1=CCC(C=CCC(=C)CCC1)(C)C | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059983 | β-bisabolene | C15H24 | 204.35 g/mol | CC1=CCC(CC1)C(=C)CCC=C(C)C | |
| TCMBANKIN059984 | α-bisabolene | C15H24 | 204.35 g/mol | CC1=CCC(CC1)C(=CCC=C(C)C)C | |
| TCMBANKIN059985 | alpha-terpinol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)C(C)(C)O | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060012 | alpha-bergamotene | C15H24 | 204.35 g/mol | CC1=CCC2CC1C2(C)CCC=C(C)C | |
| TCMBANKIN060568 | gamma-patchoulene | C15H24 | 204.35 g/mol | CC1CCC23C1CC(C2(C)C)CCC3=C | |
| TCMBANKIN060585 | α-funebrene | C15H24 | 204.35 g/mol | CC1CCC2C13CC=C(C(C3)C2(C)C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060851 | 4-methylnonane | C10H22 | 142.28 g/mol | CCCCCC(C)CCC | |
| TCMBANKIN060888 | caproaldehyde | C6H12O | 100.16 g/mol | CCCCCC=O | |
| TCMBANKIN060890 | Amylbenzene | C11H16 | 148.24 g/mol | CCCCCC1=CC=CC=C1 | |
| TCMBANKIN060899 | Isononane | C9H20 | 128.25 g/mol | CCCCCCC(C)C | |
| TCMBANKIN060900 | Nonane, 3-methyl- | C10H22 | 142.28 g/mol | CCCCCCC(C)CC | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060922 | Octane | C8H18 | 114.23 g/mol | CCCCCCCC | |
| TCMBANKIN060930 | NONYLENE | C9H18 | 126.24 g/mol | CCCCCCCC=C | |
| TCMBANKIN060942 | nonane | C9H20 | 128.26 | CCCCCCCCC | |
| TCMBANKIN060944 | nonanoic acid | C9H18O2 | 158.24 g/mol | CCCCCCCCC(=O)O | |
| TCMBANKIN060953 | 1-decene;Decylene | C10H20 | 140.27 g/mol | CCCCCCCCC=C | |
| TCMBANKIN060976 | n-decane | C10H22 | 142.28g/mol | CCCCCCCCCC | |
| TCMBANKIN060990 | 1-undecene | C11H22 | 154.29 | CCCCCCCCCC=C | |
| TCMBANKIN060993 | cis-4-tetradecenoic acid | C14H26O2 | 226.35 g/mol | CCCCCCCCCC=CCCC(=O)O | |
| TCMBANKIN060996 | UND | C11H24 | 156.31 g/mol | CCCCCCCCCCC | |
| TCMBANKIN061008 | lauric acid,ethyl ester | C14H28O2 | 228.37 g/mol | CCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061162 | Stearyl chloride | C18H37Cl | 288.94g/mol | CCCCCCCCCCCCCCCCCCCl | |
| TCMBANKIN061183 | Decyl acetate | C12H24O2 | 200.32 g/mol | CCCCCCCCCCOC(=O)C | |
| TCMBANKIN061187 | 1-octanol | C8H18O | 130.23 g/mol | CCCCCCCCO | |
| TCMBANKIN061226 | SSP-SSP | C6H14S2 | 150.31 | CCCSSCCC | |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN061528 | scopoletin | NINDS_000720; 7-hydroxy-6-methoxy-coumarin; NCGC00016349-05; 6-methoxy-7-hydroxycoumarin; 6-methoxy-7-oxidanyl-chromen-2-one; CHEBI:17488; SPBio_002884; HMS1571A05; RODXRVNMMDRFIK-UHFFFAOYSA-N; NCGC00016349-08; TR-029034; 5-18-03-00203 (Beilstein Handbook Reference); Acid, Gelseminic; 6-Methylesculetin; UNII-KLF1HS0SXJ; 7-hydroxy 6-methoxy coumarine; Scopoletin, >=99%; AB00443525; beta -methylesculetin; CS-5791; BRN 0156296; NCGC00094973-02; SR-01000841273-4; HMS2268G04; SCHEMBL147702; scopoletin ; Prestwick3_000962; CHEMBL71851; Escopoletin; Spectrum2_001207; HMS2098A05; NCGC00016349-07; NCGC00094973-03; Murrayetin; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Bio-0208; NCGC00016349-02; Prestwick2_000962; ZB002243; BG01509594; NCGC00016349-03; BPBio1_001061; Scopoletin, analytical standard; AX8035441; 0B4B9FAA-686D-4977-AA08-65F8E4F1977C; BRD-K96163925-001-06-5; ZX-AN021883; FCH1115349; AC1NQX27; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; DTXSID0075368; 7-Hydroxy-5-methoxycoumarin; SC-90283; ST24045669; b-Methylaesculetin; KBioGR_001348; 7-Hydroxy-6-methoxy-2H-chromen-2-one #; Gelseminic acid; ZX-AFC000681; S0367; MLS002154074; 4CN-0905; 6-O-Methylesculetin; HMS502D22; KLF1HS0SXJ; MCULE-6077230919; MLS002472878; IDI1_000720; SPECTRUM1502242; Aesculetin 6-methyl ether; C-30831; MFCD00006872; Scopoletol; Buxuletin; AB0019688; CC-34387; Chrysotropic Acid; RTR-029034; ACon1_000143; CCRIS 3592; 6-Methoxyumbelliferone; LS-55217; NSC-405647; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; BDBM50156693; ZX-AT021192; AK111291; Scopoletin, United States Pharmacopeia (USP) Reference Standard; 7-Hydroxy-6-methoxy-2H-chromen-2-one; I14-14171; Prestwick1_000962; PubChem15777; MolPort-000-707-493; DivK1c_000720; A844290; AN-42608; NCGC00016349-04; ST056287; ZINC57733; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Acid, Chrysotropic; NSC405647; SR-01000841273; Prestwick0_000962; BSPBio_000963; KBio1_000720; FT-0631451; beta-Methylesculetin; Spectrum4_001054; SR-01000841273-3; AJ-09778; 7-Hydroxy-6-methoxycoumarin; W-3522; MEGxp0_001192; HY-N0342; NCGC00016349-06; Scopoletine; 7-hydroxy-6-methoxy-1-benzopyran-2-one; 006S872; OR22352; S-2000; NCGC00094973-01; EINECS 202-171-9; TNP00096; KS-00000YGS; Spectrum5_000654; Spectrum3_001532; TD8126; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); SPBio_000994; AKOS000277133; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; SMR000112541; BIDD:PXR0125; CCG-39140; Esculetin 6-methyl ether; D05QOR; 92-61-5; ALBB-023369; 7-hydroxy-6-methoxychromen-2-one; C01752; BIS1402; HMS1921N16; KB-249948; .beta.-Methylesculetin; NCGC00016349-01; Baogongteng B; 7-hydroxy-6-methoxy-chromen-2-one; KBio3_002444; NINDS_000720; 7-Hydroxy-5-methoxycoumarin; 7-hydroxy-6-methoxy-coumarin; Scopoletine; S2500_SIGMA; 7-hydroxy-6-methoxy-2H-chromen-2-one; CHEBI:17488; KBioGR_001348; SPBio_002884; Prestwick1_000962; NCGC00094973-01; 5-18-03-00203 (Beilstein Handbook Reference); EINECS 202-171-9; scopoletol; TNP00096; AIDS-014975; Gelseminic acid; DivK1c_000720; 6-O-Methylesculetin; Spectrum5_000654; Spectrum3_001532; 6-Methylesculetin; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI); MEGxp0_001192; SPBio_000994; Scopoletin; 84792_FLUKA; IDI1_000720; COUMARIN, 7-HYDROXY-6-METHOXY-; 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-; ST056287; NCGC00094973-02; BRN 0156296; SPECTRUM1502242; Esculetin 6-methyl ether; BSPBio_002944; Chrysatropic acid; NCI60_003834; CAS-92-61-5; Prestwick3_000962; 7-hydroxy-6-methoxy-2-chromenone; Escopoletin; Spectrum2_001207; NCGC00094973-03; Murrayetin; 92-61-5; NSC405647; BSPBio_000963; NCGC00016349-02; KBio1_000720; 7-hydroxy-6-methoxychromen-2-one; Prestwick0_000962; 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; C01752; ZINC00057733; AIDS014975; Prestwick2_000962; Spectrum4_001054; beta-Methylesculetin; ACon1_000143; BPBio1_001061; CCRIS 3592; 6-Methoxyumbelliferone; 7-Hydroxy-6-methoxycoumarin; .beta.-Methylesculetin; NCGC00016349-01; NSC 405647; 6-Methoxy-7-hydroxycoumarin; Esculetin-6-methyl ether; 6-methoxy-7-hydroxycoumarin; 7- hydroxy- 6-methoxy- coumarin; 6-methoxy-7-hydroxy coumarin; Scopoletol | C10H8O4 | 192.17 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| TCMBANKIN061530 | scopolin | scopolin ; Scopolin; 6-METHOXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3,4-DIHYDRO-1-BENZOPYRAN-2-ONE;6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; CHEBI:16065; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; ZINC04082214; STOCK1N-54345; 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one; 6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone;6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside | C16H18O9 | 354.31 g/mol | COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN061568 | EUG | 4-vinyl-2-methoxy-phenol;2- methoxy—vinylphenol;2-Methoxy-4-vinylphenol;2-methoxy-4-vinylphenol;4-Hydroxy-3-methoxyvinylbenzene; 4-vinylguaiacol; 7786-61-0; FEMA No. 2675; EINECS 232-101-2; p-Vinyl guaiacol; Phenol, 4-ethenyl-2-methoxy-; W267511_ALDRICH; p-Vinylguaiacol; CPD-1072; ZINC01849800; 4-ethenyl-2-methoxy-phenol; 3-06-00-04981 (Beilstein Handbook Reference); 2-METHOXY-4-VINYL-PHENOL; BRN 2044521; LS-2530; 4-Hydroxy-3-methoxystyrene; 31853-85-7; Phenol, 2-methoxy-4-vinyl-; Vinylcatechol-O-methyl ether, P-; 2-Methoxy-4-vinylphenol; CCRIS 548; Guaiacol, 4-vinyl-; 4-ETHENYL-2-METHOXYPHENOL | C9H10O2 | 150.17 | COC1=C(C=CC(=C1)C=C)O |
| TCMBANKIN061577 | FER | Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid | C10H10O4 | 194.18 g/mol | COC1=C(C=CC(=C1)C=CC(=O)O)O |
| TCMBANKIN061689 | Uvadex | DSSTox_GSID_20830; Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; NC00652; CC-30277; 9-Methoxy-7H-furo[3,2-g]chromen-7-one #; 9-Methoxyfuro(3,2-g)chromen-7-one; HMS2091D20; 4CN-0934; AK111265; 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE; 9-methoxyfuro[3,2-g]chromen-7-one; Vitpso; NCGC00060938-02; U4VJ29L7BQ; SPBio_002557; 8-MOP; 8-Methoxy-4',6,7-furocoumarin; SDCCGMLS-0042377.P002; CPD000071170; Spectrum2_001052; s1952; NCGC00060938-03; Delta Brand of Methoxsalen; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Methoxsalen, United States Pharmacopeia (USP) Reference Standard; Oxsoralen lotion; Oxsoralen; Dltasoralen; 8-Methoxy-6,7-furanocoumarin; Methoxsalen Canderm Brand; HMS2269P03; DSSTox_CID_830; NINDS_000763; KBioSS_001503; AB2000388; Methoxaten; EINECS 206-066-9; Meladinina; C01864; Methoxa-Dome; Oxoralen; Psoralen-mop; Xanthotoxin, analytical standard; NCGC00016418-04; CAS-298-81-7; KBio3_001497; AJ-39565; AN-12178; Methoxsalen [BAN:JAN]; NCGC00060938-05; 8-Methoxypsoralen, analytical standard; Dermatech Brand of Methoxsalen; 9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00060938-04; NCGC00060938-06; CM-131; 8-Methoxyfuranocoumarin; Xanthotoxine; 12692-94-3; Prestwick0_000479; 8-Methoxy-2',6,7-furocoumarin; 5-Demethoxyisoimpinellin; Methoxy-8-psoralen; SMR000071170; SCHEMBL19168; MEGxp0_000095; LS-68; HSDB 2505; CS-1983; SC-13812; 9-methoxyfurano[3,2-g]chromen-2-one; NCGC00016418-03; ZINC2548959; Dermox; Psoralon-MOP; Canderm Brand of Methoxsalen; 8-methoxy-4'',5'':6,7-furocoumarin; 8MOP; Meladinin (VAN); 298M817; Oprea1_166319; NCGC00016418-14; OXSORALEN (TN); Meladinine; Oxsoralen Ultra; 7H-Furo[3, 9-methoxy-; Prestwick1_000479; AC-4259; BG00605120; Tox21_110432; BG0479; HMS3655B05; WLN: T C566 DO LVOJ BO1; Boehringer Ingelheim Brand of Methoxsalen; Uvadex; Puvamet; Sanofi Synthelabo Brand of Methoxsalen; Prestwick3_000479; NSC757114; Meladoxen; NCGC00016418-09; 5-19-06-00015 (Beilstein Handbook Reference); SAM002548974; 8-methoxyfurocoumarins; 8-methoxyfuranocoumarins; SR-01000629727-4; Oxsoralen-ultra; Q039; an 8-methoxyfurocoumarin; 8MO; methoxsalen; MFCD00005009; NCGC00178871-03; BSPBio_000618; Tox21_110432_1; MolPort-000-696-480; NCI-C55903; DSSTox_RID_75816; NCGC00016418-02; AB00052042_16; BRN 0196453; Xanthotoxin;Metoxaleno; Dltasoralen;Meladinine;Uvadex,;Oxsoralen; NCGC00016418-07; Zanthotoxin; BRD-K63430059-001-06-5; BDBM50041234; KBio2_004071; 8-METHOXYPSORALEN + UVA (SEE ALSO C55903); Methoxsalen Mex-America Brand; DB00553; Metoxaleno; 8-methoxy-[furano-3''.2'':6.7-coumarin]; NCGC00016418-10; 9-Methoxy-7H-furo[3,2- g][1]benzopyran-7-one; Spectrum_001023; Methoxa Dome; Methoxsalen (JP17/USP); 8-Methoxypsoralene; Methoxalen; EN300-52504; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; CHEBI:18358; HMS502G05; GP5578; I06-0695; MLS000062633; Tox21_302816; D08SKH; BC4157549; ICN Brand 1 of Methoxsalen; AB00052042-14; 8-methoxypsoralen; Proralone-mop; X0009; AC1L1HFY; Oxypsoralen; Methoxsalen Sanofi-Synthelabo Brand; FT-0602101; Q-100381; 9-Methoxypsoralen; ST24045871; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; Pharmakon1600-01500400; Sanofi-Synthelabo Brand of Methoxsalen; NCGC00016418-08; QXKHYNVANLEOEG-UHFFFAOYSA-N; FT-0082222; BRD-K63430059-001-03-2; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; xanthotoxin ; BPBio1_000680; Methoxsalen Delta Brand; Mex-America Brand of Methoxsalen; AX8020056; C-11618; KS-00000J91; STOCK1N-03091; NCGC00256435-01; 9-Methoxy-7H-furo[3,2-g]chromen-7-one; Deltapsoralen; Oxsoralen Ul tra; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; IDI1_000763; D00139; Spectrum4_000052; SR-01000629727-2; Deltasoralen; CCRIS 2083; ICN Brand 3 of Methoxsalen; Meloxine; Prestwick2_000479; JC10026; J10204; 7-Furocoumarin; CHEMBL416; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; 8-MOP ; Methoxsalen; KBio2_001503; NSC-757114; NSC45923; Ultramop; Methoxsalen Chinoin Brand; AM84906; 8-Methoxy-4',5':6,7-furocoumarin; Ammodin; Jsp005650; MCULE-2500932325; 8-MP; Methoxsalen [USP:BAN:JAN]; O-methylxanthotoxol; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; DS-5159; UVADEX (TN); Methoxsalen, 8-; Methoxsalene; STK735539; 9-metho xy-7H-furo(3,2-g)benzopyran-7-one; Methoxsalen Dermatech Brand; 8-Methoxy-2',3',6,7-furocoumarin; NCGC00016418-05; NCGC00259316-01; DTXSID8020830; ACon1_000174; DB Brand of Methoxsalen; Tox21_201767; N1305; NCGC00178871-01; Ultra Mop; Puvalen; Methoxsalen (Oxsoralen); DivK1c_000763; Chinoin Brand of Methoxsalen; NSC-45923; Ammoidin; 8-Methoxypsoralen; NCGC00178871-02; SAM002564221; Meladinin; SR-01000629727; SBB005950; 8-Methoxy(furano-3'.2':6.7-coumarin); NCI60_004085; SBI-0051443.P003; SPBio_001004; NCGC00016418-12; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; XANTHOTOXIN; 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one; ICN Brand 2 of Methoxsalen; 8-Methoxy; SPECTRUM1500400; 8 Methoxypsoralen; HMS2096O20; HY-30151; 298-81-7; HMS3259L13; Spectrum5_001891; AKOS000277012; 8-methoxy-2'',3'',6,7-furocoumarin; AB00052042_17; 7H-Furo(3,2-G)(1)benzopyran-7-one, 9-methoxy-; UNII-U4VJ29L7BQ; NCGC00016418-11; MLS002303011; Z1258578369; AB00052042-15; Spectrum3_000499; Galderma Brand of Methoxsalen; BC204608; KBio2_006639; NCGC00016418-01; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; NCGC00016418-06; HMS1920N05; HMS1569O20; New-Meladinin; API0008254; Mex America Brand of Methoxsalen; 8-Methoxy-[furano-3'.2':6.7-coumarin]; NCGC00016418-15; KBio1_000763; BG01521511; A1783/0075596; CCG-36366; ST041029; Ultramop Lotion;8-methoxypsoralen;Methoxsalen plus ultraviolet radiation; 8-Methoxy-4',5',6,7-furocoumarin; 9-Methoxyfuro(3,2-g)chromen-7-one; Methoxsalen; NCGC00060938-02; 9-methoxyfuro[3,2-g]chromen-7-one; SDCCGMLS-0042377.P002; SPBio_002557; 8-MOP; Spectrum2_001052; NCGC00060938-03; 9-(methyloxy)-7H-furo[3,2-g]chromen-7-one; Oxsoralen; 8-MOP Capsules; NINDS_000763; KBioSS_001503; EINECS 206-066-9; C01864; Methoxa-Dome; Oxoralen; CAS-298-81-7; KBio3_001497; Methoxsalen [BAN:JAN]; NCGC00060938-06; NCGC00060938-04; DRG-0088; 8-Methoxyfuranocoumarin; Prestwick0_000479; 12692-94-3; Xanthotoxine; Methoxy-8-psoralen; SMR000071170; MEGxp0_000095; HSDB 2505; Psoralon-MOP; Meladinin (VAN); Oprea1_166319; Meladinine; Oxsoralen Ultra; Prestwick1_000479; WLN: T C566 DO LVOJ BO1; Prestwick3_000479; Meladoxen; 5-19-06-00015 (Beilstein Handbook Reference); AIDS001590; 8MO; BSPBio_000618; NCI-C55903; BRN 0196453; KBio2_004071; ZINC00381730; Spectrum_001023; 8-Methoxypsoralene; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone; Methoxalen; MLS000062633; Oxypsoralen; 9-Methoxypsoralen; Methoxsalen with ultra-violet A theraphy; NSC 45923; 8-Methoxy-(furano-3'.2':6.7-coumarin); Prestwick_661; 8-Methoxypsoralen with ultraviolet A therapy; 9-methoxy-7H-furo[3,2-g]chromen-7-one; 9-Methoxyfuro[3,2-g][1]benzopyran-7-one; BPBio1_000680; 9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE; IDI1_000763; D00139; 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; Spectrum4_000052; CCRIS 2083; Meloxine; Prestwick2_000479; BSPBio_001997; Methoxsalen (JP15/USP); Geroxalen; KBio2_001503; NSC45923; Ammodin; 8-MP; 9-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioGR_000543; Methoxsalen, 8-; 8-Methoxy-2',3',6,7-furocoumarin; AIDS-001590; ACon1_000174; Puvalen; Oxsoralen (TN); DivK1c_000763; Ammoidin; 8-Methoxypsoralen; Meladinin; NCI60_004085; 8-Methoxy(furano-3'.2':6.7-coumarin); SPBio_001004; Oxsoralen-Ultra; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-; SPECTRUM1500400; 298-81-7; Spectrum5_001891; Xanthotoxin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-; Spectrum3_000499; 9-methoxy-7-furo[3,2-g]chromenone; NCGC00016418-01; KBio2_006639; 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone; M3501_SIAL; New-Meladinin; Oxsoralen Lotion; 10-32-2; 8-Methoxy-[furano-3'.2':6.7-coumarin]; A1783/0075596; KBio1_000763; | C12H8O4 | 216.19 | COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
| TCMBANKIN061695 | Majudin | Spectrum2_000534; 5-19-06-00004 (Beilstein Handbook Reference); 4-methoxyfuro[3,2-g]chromen-7-one; Spectrum3_000663; KBio3_001545; CCRIS 4348; KBioGR_002055; 4-methoxy-7-furo[3,2-g]chromenone; DivK1c_000529; NCGC00091582-01; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; KBio2_001274; TNP00299; NINDS_000529; Bergapten; Spectrum5_000155; EINECS 207-604-5; KBio1_000529; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioSS_001274; ACon0_000984; AIDS031096; 4-methoxy-7H-furo[3,2-g]chromen-7-one; HSDB 3466; 5-Methoxypsoralen; Spectrum_000794; KBio2_003842; BSPBio_002325; MEGxp0_000990; 65320_FLUKA; BRN 0019560; 5-Mop; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; NCGC00091582-02; Bergaptene; 5-Methoxy psoralen; NCI60_042121; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; 4-Methoxy-furo[3,2-g]chromen-7-one; IDI1_000529; Bergapten(e); BAS 00674110; ACon1_001979; SPBio_000547; 5-Methoxypsoralen with ultraviolet A therapy; BERGAPTAN; Psoraderm; SDCCGMLS-0066492.P001; NSC95437; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; ZINC00057731; InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; C01557; Heraclin; NCGC00091582-03; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 275727_ALDRICH; Spectrum4_001478; SPECTRUM300546; O-Methylbergaptol; 5-Methoxyfuranocoumarin; NSC 95437; NCGC00017357-01; AIDS-031096; 484-20-8; Oprea1_562364; 5-methoxypsoralen; bergapten;5-19-06-00004 (Beilstein Handbook Reference); AB00052148_06; V0122; DivK1c_000529; NCGC00259906-01; KBio2_001274; EINECS 207-604-5; Geralen; SR-05000002173; KBio1_000529; KBioSS_001274; Majudin; 4-Methoxy-7H-furo[3,2-g]chromen-7-one #; 4-Methoxy-7H-furo[3,2-g]chromen-7-one; HMS501K11; 5-Methoxypsoralen, 99%; SMR000112435; NCGC00017357-03; NCGC00017357-07; CAS-484-20-8; B2840; AK134854; KS-00000GSD; TR-017690; Bergapten(e); NCGC00017357-04; BAS 00674110; CC-24574; C-11626; BERGAPTAN; Psoraderm; D07521; SDCCGMLS-0066492.P001; BRD-K12968785-001-03-4; MLS002207272; 5-Methoxypsoralen (Bergapten); InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; Bergaptene (DCF); 5-methoxy-psoralen; Pentaderm (TN); SPECTRUM300546; HY-N0370; ANW-42611; 5-Methoxypsoralen (obsol.); 5-Methoxy psoralen; KBioGR_002055; Oprea1_562364; Tox21_303255; NCGC00178705-02; Q-100536; Spectrum3_000663; BRD-K12968785-001-02-6; 4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00017357-08; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; ZINC57731; TNP00299; Bergapten; BDBM50067880; Spectrum5_000155; NSC755877; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; AB00052148_07; DS-2970; Spectrum_000794; KBio2_003842; 5-methoxy-2H-furo[3,2-g]chromen-2-one; BRN 0019560; NCGC00178705-01; 5-Mop; UNII-4FVK84C92X; M-9412; NCGC00091582-02; HMS2268M24; CHEBI:18293; CS-2234; 5 methoxypsoralen; 5-methoxypsoralen ; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; NCGC00017357-05; SR-05000002173-5; CCG-39946; 5-Methoxypsoralen with ultraviolet A therapy; DSSTox_CID_5560; NSC95437; CJ-00484; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone; NCGC00017357-02; N1304; AC1Q47BC; NCGC00091582-03; SBI-0051583.P002; 4-Methoxy-7H-furo[3,2-g]benzopyran-7-one; NSC 95437; 5-methoxyfurano[3,2-g]chromen-2-one; bergaptene; 484-20-8; CTK3J2399; s4239; Spectrum2_000534; Pentaderm; 4FVK84C92X; KBio3_001545; HMS3652F19; ST2411501; NINDS_000529; STK333038; MCULE-7768334865; NCGC00017357-06; HSDB 3466; 5-Methoxypsoralen; BSPBio_002325; CB-1199; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; BGEBZHIAGXMEMV-UHFFFAOYSA-N; I14-13388; MFCD00010272; bmse000758; IDI1_000529; AB0019675; DB12216; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 4-Methoxyfuro[3,2-g]benzopyran-7-one; O-Methylbergaptol; 484B208; RTR-017690; NCGC00091582-04; SC-46077; AKOS000276715; SR-05000002173-3; CCRIS 4348; DSSTox_GSID_25560; 4-methoxyfuro[3,2-g]chromen-7-one; ZB002242; DTXSID1025560; NSC-755877; NCGC00091582-01; 5-methoxypsoralene; AX8014410; A827532; AJ-09777; ACon0_000984; Tox21_202357; HMS1923G13; FT-0603416; MEGxp0_000990; AC1L1DHU; MolPort-000-880-879; NSC-95437; 4CN-0945; NCI60_042121; BG01521510; 4-Methoxy-furo[3,2-g]chromen-7-one; NCGC00256998-01; AC-20189; CHEMBL24171; SPBio_000547; ACon1_001979; DSSTox_RID_77830; 7H-Furo[3, 4-methoxy-; SR-05000002173-2; Bergapten, analytical standard; SCHEMBL50066; 4-methoxy-7-furo[3,2-g][1]benzopyranone; Heraclin; C01557; Bio-0829; Spectrum4_001478; LS-1292; D0QR5G; Pharmakon1600-00300546; 5-Methoxyfuranocoumarin; MLS002454380; NCGC00017357-01; AN-9448 | C12H8O4 | 216.19 g/mol | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| TCMBANKIN061752 | Syringaldehyde | BP-12551; W-108274; SYRINGIC ALDEHYDE; TL8000818; F2190-0619; 3,5-Dimethoxy-4-hydroxybenzene carbonal; SBB007558; syringaldehyde; Benzaldehyde,5-dimethoxy-4-hydroxy-; 134S963; Syringaldehyde (3,5-Dimethoxy-4-hydroxybenzaldehyde); MolPort-000-871-246; 4-08-00-02718 (Beilstein Handbook Reference); AC-7993; Syringylaldehyde; RP24321; Benzaldehyde, 4-hydroxy-3,5-dimethoxy-; 3,5-Dimethoxy-4-Hydroxy-Benzaldehyde; M-5269; BBL023037; CJ-01202; BB_NC-1418; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 134-96-3; DTXSID2059643; AK-58336; Gallaldehyde 3,5-dimethyl ethel; Syringaldehyde, 98%; EINECS 205-167-5; NSC 41153; AIDS-340410; MCULE-3798898100; CD0099; AB1002509; 86220_FLUKA; FT-0618631; AI3-28796; D0635; Syringealdehyde; S7602_ALDRICH; Syringaldehyde, analytical standard; 4-Hydroxy-3,5-dimethoxybenzaldehydl; AN-8414; CHEBI:67380; AJ-12845; InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H; Syringaldehyde, Vetec(TM) reagent grade, 98%; KCDXJAYRVLXPFO-UHFFFAOYSA-N; BG00602125; 3,5-DIMETHOXY-4-HYDROXYBENZALDEHYDE, PURE; STR09162; UNII-2ZR01KTT21; Syringaldehyde, >=98%, FG; 3,5-Dimethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3,5-dimethoxybenzaldehyde; TR-004732; ST093694; NSC-41153; RTR-004732; AT-3143; Syringe aldehyde; 4CN-0961; 4-hydroxy-3,5-dimethoxy-benzaldehyde; CTK0H4628; 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish]; 3,5-Dimethoxy-4-hydroxy benzaldehyde; ANW-19730; bmse010204; syringaldehye; KSC174M2R; 4-hydroxy-3,5-dimethoxy benzaldehyde; bmse000595; KB-60663; AP-065/41884112; Cedar aldehyde; MFCD00006943; Springaldehyde; ACMC-209bxg; ZINC152926; BRN 0784514; AIDS340410; SC-50428; AKOS000119539; CHEMBL225303; 4-Hydroxy-3,5-dimethoxybenzaldehyde; SYRINGALDEHYDE; NSC41153; SCHEMBL150376; 4-Hydroksy-3,5-dwumetoksybenzaldehyd; CS-0016810; I01-1214; Benzaldehyde, 3,5-dimethoxy-4-hydroxy-; Gallaldehyde 3,5-dimethyl ether; AC1Q489M; AC1L1RFP; STK801968; LS-25017; Syringic aldehyde; 2ZR01KTT21; ZINC00152926; J10333; W404926_ALDRICH; ST2411453;syringic aldehyde;3,5-dimethoxy-4-hydroxybenzaldehyde;yringaldehyde | C9H10O4 | 182.17 g/mol | COC1=CC(=CC(=C1O)OC)C=O |
| TCMBANKIN061786 | elemicine | el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) | C12H16O3 | 208.25 g/mol | COC1=CC(=CC(=C1OC)OC)CC=C |
| TCMBANKIN061923 | crinamine | CHEMBL1221865; Crinamine; ZINC8652224; (+)-crinamine | C17H19NO4 | 301.34 g/mol | COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O |
植物对应的疾病
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植物对应的靶点
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