Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004757 |
XU_ID: | XU-374 |
ID: | TCMBANKHE004757/XU-374 |
植物拉丁名: |
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功能与主治: | To warm the kidney and promote virility, to remove damp, to dispel zvind, and to kill parasites./Impotence, scrotal damp itch, vaginal discharge, pudendal itch, trichomoniasis, eczema, infertility due to uterus cold, wind-damp impediment pain, scab and lichen, damp sore. |
药用植物名: | 蛇床子|蛇床 |
来源: | 贵州省黔南州望谟县 |
药用部位: | fruit|全株 |
药味: | Warm; Pungent; Bitter |
经络: | Kidney |
临床特征: | 1. Its alcoholic extract exerts a gonadotropic effect, I.e., prolong estruation, increase the weight of ovary and uterus in female mice and that of prostate, seminal vesicle and musculi levator ani in male mice. 2. Relieving cyclophosphamide-induced leuko |
治疗类型: | 解毒杀虫燥湿止痒药 |
KUMST_ID1: | KMUST-BS-0386 |
KUMST_ID2: | KMUST-2023121500031-1，-2，-3 |
TCM_ID_id: | 7399 |
SymMap_id: | 363 |
TCMSP_id: | 628 |
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 |
|---|
| TCMBANKIN000104 | Perillyl alcohol | 77311_FLUKA; (S)-(-)-Perillyl alcohol; [(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol; perillyl alcohol; p-Mentha-1,8-diene-7-ol; NCI60_013758; LMPR01020028; (S)-4-Isopropenyl-1-cyclohexenylmethanol; W266418_ALDRICH; (S)-p-Mentha-1,8-dien-7-ol; [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol; InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H; [(4S)-4-isopropenyl-1-cyclohexenyl]methanol; 18457-55-1; Perillic alcohol; (-)-Perillyl alcohol; (−)-Perillyl alcohol; C02452; (S)-(−)-Perillyl alcohol; perillyl alcohol ; CHEBI:10782; NSC641066; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); ZINC03861538; 218391_ALDRICH; p-Mentha-1,8-dien-7-ol; (-)-Perillylalcohol | C10H16O | 152.23 | CC(=C)C1CCC(=CC1)CO |
| TCMBANKIN000433 | 7-o-methylaloeresin | 7-methoxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 7-O-Methylaloesin; AC1NSY7G | C20H24O9 | 408.4 g/mol | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)OC |
| 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 |
| 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 |
| TCMBANKIN001529 | Karenin | 165171-15-3; (3beta,28(Z))-3-Hydroxy-28-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)urs-12-en-27-oic acid; (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid; (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid; 3-Hydroxy-28-p-coumaroyloxyurs-12-en-27-oic acid; Urs-12-en-27-oic acid, 3-hydroxy-28-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (3beta,28(Z))-; (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid; 3-Hydroxy-28-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)urs-12-en-27-oic acid (3beta,28(Z))- | C39H54O6 | 618.84 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)COC(=O)C=CC6=CC=C(C=C6)O |
| TCMBANKIN001763 | (E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein | (E)-2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-8-chromenyl)prop-2-enal; (E)-2,3-bis(7-methoxy-2-oxo-chromen-8-yl)prop-2-enal | C23H16O7 | 404.37 | |
| TCMBANKIN001773 | Myrtene acid bromide | C10H13BrO | 229.11 g/mol | CC1(C2CC=C(C1C2)C(=O)Br)C | |
| TCMBANKIN002741 | meranzin hydrate | meranzinhydrate | C15H18O5 | 278.3 | CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O |
| TCMBANKIN004800 | 21-methyl tricosanoic acid | 21-methyl tricosanoicacid | C24H48O2 | 368.64 | CCC(C)CCCCCCCCCCCCCCCCCCCC(=O)O |
| TCMBANKIN004890 | Isobutyryl shikonin | 52438-12-7; [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; ZINC1702730; (1R)-1-(5,8-DIHYDROXY-1,4-DIOXONAPHTHALEN-2-YL)-4-METHYLPENT-3-EN-1-YL 2-METHYLPROPANOATE; CTK5J8655; MFCD00144512; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; SCHEMBL3298557; C17414; C-56533; 2-methylpropionic acid [(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; Isobutylshikonin; CHEBI:81070; AC1LA0S8; Isobutyrylshikonin; FT-0770577; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 2-methylpropanoate; isobutyryl shikonin; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanoate; 2-methylpropanoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; isobutyrylshikonin | C20H22O6 | 358.4 g/mol | CC(C)C(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| TCMBANKIN005187 | 2,3-dimethylhexane | 2,3-dimethyl-hexane | C8H18 | 114.23 | CCCC(C)C(C)C |
| TCMBANKIN005221 | cnideol B | C12H12O5 | 236.22 | ||
| TCMBANKIN005838 | macrostemonoside v | ||||
| TCMBANKIN006372 | ()-alpha-Longipinene | (1R,2S,7R,8R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02.8]undec-9-ene; 62638_FLUKA | 204.39 | ||
| TCMBANKIN006810 | ar-tumerone | C15H20O | 216.32 g/mol | CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C | |
| TCMBANKIN007107 | 1, 2, 5 , 5-tetramethyl-1 , 3- Cyclopentadiene | C9H14 | 122.21 g/mol | CC1=C(C(C=C1)(C)C)C | |
| TCMBANKIN007246 | cniforin B | cniforin b | C23H26O7 | 414.45 | |
| TCMBANKIN007630 | 2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy] | C13H24O3 | 228.33 | ||
| TCMBANKIN007721 | macrostemonoside g | C45H74O20 | 935.1 g/mol | CC1C2C(CC3C2(C(CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)O)C)OC1(CCC(=C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN007952 | 6,10,14-trimethyl-2-pentadecene | 252.54 | |||
| TCMBANKIN008101 | tetradecanoic acid | SCHEMBL136610; A830197 | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O |
| TCMBANKIN009003 | 3-[(1-methylethyl)thio]-1-propene | ||||
| TCMBANKIN009586 | Fenchylacetate | fenchyl acetate | C12H20O2 | 196.29 | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| TCMBANKIN011411 | 5-methyl-1,2-dithio-3-cyclopentene | AC1NSYC2; 3H-1,2-Dithiole, 3-methyl-; 3-methyl-3H-dithiole; 5-Methyl-1,2-dithia-3-cyclopentene; NKTXJFKBFZWDLD-UHFFFAOYSA-N; 3-Methyl-3H-1,2-dithiole | C4H6S2 | 118.2 g/mol | CC1C=CSS1 |
| TCMBANKIN011744 | macrostemonoside k | C46H78O20 | 951.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)OC | |
| 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 |
| TCMBANKIN013226 | allolmperatorine | ||||
| 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 |
| TCMBANKIN013755 | 2,4-Dimethylpent-2-ene | InChI=1/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H; 625-65-0; NSC74139; 2,4-Dimethyl-2-pentene; EINECS 210-905-4; 2-Pentene, 2,4-dimethyl- | C7H14 | 98.19 | CC(C)C=C(C)C |
| TCMBANKIN013802 | chinensin | 10-(3,4-DIMETHOXYPHENYL)-4,6,13-TRIOXATETRACYCLO[7.7.0.0(3),?.0(1)(1),(1)?]HEXADECA-1(16),2,7,9,11(15)-PENTAEN-12-ONE; 31888-76-3; Chinensin; 5-(3,4-dimethoxyphenyl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one; AC1NSTIK | C21H16O6 | 364.3 g/mol | COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2C(=O)OC5)OCO4)OC |
| TCMBANKIN014229 | macrostemonoside j | C45H76O20 | 937.1 g/mol | CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)OC1(CCC(C)COC8C(C(C(C(O8)CO)O)O)O)O | |
| TCMBANKIN014295 | (25S)-spirost-1β,2β,3β,4β,5β,7α-hexahydroxyl-6-one | ||||
| TCMBANKIN015015 | (22s)-cholest-5-ene-1β,3β,16β,22-tetraol-1-o-α-l-rhamnopyranosyl-16-o-β-d-glucopyrano-side | C39H66O13 | CC1C(C(C(C(O1)OC2CC3C4CC=C5CC(CC(C5(C4CCC3(C2C(C)C(CCC(C)C)O)C)C)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O | ||
| TCMBANKIN015059 | 7-methoxy-2-oxochromene-8-carbaldehyde | 7-methoxy-2-oxo-8-chromenecarboxaldehyde; 2-keto-7-methoxy-chromene-8-carbaldehyde; 7-methoxy-2-oxo-chromene-8-carbaldehyde | C11H8O4 | 204.18 | |
| TCMBANKIN015606 | cnidimol F | cnidimol f | C15H14O6 | 290.27 | |
| TCMBANKIN015614 | 3(10)-Caren-4-ol, acetoacetic acid ester | C14H20O3 | 236.31 g/mol | CC(=O)CC(=O)OC1CC2C(C2(C)C)CC1=C | |
| TCMBANKIN016141 | macrostemonoside e | C57H94O28 | 1227.34 | CC1=C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)C6(C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)CCC(C)COC1C(C(C(C(O1)CO)O)O)O | |
| TCMBANKIN016252 | 9-hydroxy-4-[(7-methoxy-2-oxochromen-8-yl)methyl]furo[3,2-g]chromen-7-one | 9-hydroxy-4-[(2-keto-7-methoxy-chromen-8-yl)methyl]furo[3,2-g]chromen-7-one; 9-hydroxy-4-[(7-methoxy-2-oxo-8-chromenyl)methyl]-7-furo[3,2-g]chromenone; 9-hydroxy-4-[(7-methoxy-2-oxo-chromen-8-yl)methyl]furo[3,2-g]chromen-7-one | C22H14O7 | 390.34 | |
| TCMBANKIN016565 | akebin d | ||||
| TCMBANKIN017650 | p-Mentha一1,8一dime | ||||
| TCMBANKIN018145 | 1,2-propanediol,2-acetate | C5H10O3 | 118.13 g/mol | CC(CO)OC(=O)C | |
| TCMBANKIN018525 | 9,12,15-0ctadecatrienoic acid | ||||
| TCMBANKIN018602 | macrostemonoside vi | ||||
| TCMBANKIN019736 | Parsley genus prime B | ||||
| TCMBANKIN020222 | Z-11-Tetradecenoic acid | C14H26O2 | 226.35 g/mol | CCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN020690 | akebin c | ||||
| TCMBANKIN020860 | 7 ,10,13-Eicosatrienoic acid | C20H34O2 | CCCCCCC=CCC=CCC=CCCCCCC(=O)O | ||
| TCMBANKIN021208 | (25R)-26-O-β-D-glucopyranosyl-Furostanol-5-ene-3β, 22ξ,26-triol-3-O-β-D-glucopyranosyl(1→3)-β-D-glucopyranosyl(1→4)-[α-L-rhamnopyranosyl(1→2)]-β-D-glucopyranoside | ||||
| 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 |
| TCMBANKIN023676 | tetracosanoic acid | tetracosoate; tetracosanate; tetraeicosanoate; AC1NUU2A; 46927-71-3; tetracosanoate; n-tetracosanoate; DTXSID80420121; lignocerate; Lignocerat; CHEBI:31014; Tetracosanoat; CH3-[CH2]22-COO(-) | C24H47O2- | 367.6 g/mol | CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| TCMBANKIN024913 | akebin a | ||||
| TCMBANKIN025179 | 9,12-0ctadecadienoic acid | ||||
| TCMBANKIN025338 | akebin g | ||||
| TCMBANKIN026038 | macrostemonoside d | C53H86O24 | 1107.24 | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)C7(C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)COC(=O)C)O)O)O)C)C)C)OC1 | |
| TCMBANKIN026160 | ZINC01850974 | C10H16O | 152.23 | ||
| TCMBANKIN026816 | Bergamot lactone | ||||
| TCMBANKIN027264 | gamma-Sitosterol y | ||||
| TCMBANKIN029036 | Tocoplierol | ||||
| TCMBANKIN029503 | isogosferol | 9-((2-Hydroxy-3-methyl-3-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one; AKOS032948613; Isogosferol; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((2-hydroxy-3-methyl-3-butenyl)oxy)-; Isogospherol; 9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE; AC1L3XHE; MEGxp0_000940; 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one; (+)-Isogospherol; 53319-52-1; RTUPRHIHXSAWDP-UHFFFAOYSA-; InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3; SCHEMBL2468855 | C16H14O5 | 286.28 | CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O |
| TCMBANKIN029758 | Isovaleroxy-hydroxy dihydrovaltrate | isovaleroxy-hydroxy dihydrovaltrate; [1-acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate; AC1NSX6L | C27H40O11 | 540.67 | CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O |
| TCMBANKIN029812 | Bicyclo[7. 2. 0]undec-4-ene, 4,11,11-trimethyl-8-methylene-[1R@,4z,9s@)]- | ||||
| TCMBANKIN029924 | (E)-2-ethylnonacos-2-enal | (2E)-2-Ethyl-2-nonacosenal | 448.91 | ||
| TCMBANKIN030598 | [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate | 3-methylbutanoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbutanoate; 3-methylbutyric acid [(1R)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate | C21H24O6 | 372.41 | |
| TCMBANKIN032500 | alloimperatorine | CC(=CCC1=C2C(=C(C3=C1OC(=O)C=C3)O)C=CO2)C | |||
| TCMBANKIN033944 | bergopten | ||||
| TCMBANKIN034301 | o-Isovalerylcolum bianetin | AC1NSX6O; HMS3328P11; o-isovalerylcolum bianetin; MCULE-8769481672; NP-015797; 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbutanoate | C19H22O5 | 330.4 g/mol | CC(C)CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| TCMBANKIN034686 | [(2R)-2,3-dihydroxypropyl] acetate | acetic acid [(2R)-2,3-dihydroxypropyl] ester; ZINC02015933; [(2R)-2,3-dihydroxypropyl] ethanoate | 134.15 | ||
| TCMBANKIN035365 | cis-p-2,8-Menthadien-1-ol | 1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol cis-; (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol; (1R,4S)-1-methyl-4-prop-1-en-2-yl-cyclohex-2-en-1-ol; 3886-78-0; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, cis-; (1R,4S)-4-isopropenyl-1-methyl-cyclohex-2-en-1-ol; (1R,4S)-4-isopropenyl-1-methyl-1-cyclohex-2-enol; cis-p-2,8-menthadien-1-ol | C10H16O | 152.23 | CC(=C)C1CCC(C=C1)(C)O |
| TCMBANKIN035528 | 5-ethyl-2-methylheptane | C10H22 | 142.28 g/mol | CCC(CC)CCC(C)C | |
| TCMBANKIN035898 | edulfin | C1C2C(C3=C(O1)C=C4C(=C3)C=CO4)OC5=CC6=C(C=C25)OCO6 | |||
| TCMBANKIN036333 | 7-Methoxy-4-methylcoumarin | ZINC00058049; 65087_FLUKA; 7-Methoxy-4-methyl-2H-1-benzopyran-2-one; DivK1c_006412; SDCCGMLS-0066546.P001; KBio3_002292; 2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-; NSC688805; AIDS-150762; AIDS150762; 2555-28-4; NSC 688805; Spectrum3_001256; KBioGR_002049; 7-methoxy-4-methylchromen-2-one; Spectrum4_001475; SPECTRUM300540; SPBio_001637; Spectrum5_000149; KBioSS_001268; 7-methoxy-4-methyl-2-chromenone; KBio2_001268; SBB010006; BSPBio_002792; 7-Methoxy-4-methyl-2H-chromen-2-one; KBio2_006404; SpecPlus_000316; Spectrum_000788; 7-methoxy-4-methyl-coumarin; Methyl 4-methylumbelliferyl ether; NCGC00095600-01; KBio1_001356; KBio2_003836; 7-methoxy-4-methyl-chromen-2-one; Spectrum2_001769; 246131_ALDRICH | C11H10O3 | 190.2 | CC1=CC(=O)OC2=C1C=CC(=C2)OC |
| TCMBANKIN036376 | 6-methylumbrofine | C24H39NO6 | CCN1CC2CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC | ||
| TCMBANKIN036415 | archangelicin | [1-methyl-1-[(9R)-9-(3-methylbut-2-enoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]ethyl] (E)-2-methylbut-2-enoate; CHEBI:2808 | C24H26O7 | 426.5 g/mol | CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C |
| TCMBANKIN036539 | Ethyl oleate (NF) | ethyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid ethyl ester; 75100_FLUKA; 268011_ALDRICH; Oleic acid ethyl ester; 75101_FLUKA; D04090; 317675_ALDRICH | C20H38O2 | 310.51 | CCCCCCCCC=CCCCCCCCC(=O)OCC |
| TCMBANKIN036600 | cnidimine | C21H22O7 | 386.4 g/mol | CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C | |
| TCMBANKIN036693 | dihydrooroselol | C14H14O4 | 246.26 g/mol | CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O | |
| TCMBANKIN036841 | prostaglandin a1 | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oate; CHEBI:57398; prostaglandin A1(1-); prostaglandin A1 anion | C20H31O4- | 335.5 g/mol | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)[O-])O |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN037541 | alpha-Cubebene | α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 | C15H24 | 204.351 | C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN038399 | α-Santalene | ZINC64634147; alpha-santalene ; ZINC100506743; (+)-alpha-santalene; alpha-santalene; (1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane; KWFJIXPIFLVMPM-PEGGXJLSSA-N; CHEBI:61677; (2R,6S,7R)-1,7-DIMETHYL-7-(4-METHYLPENT-3-EN-1-YL)TRICYCLO[2.2.1.0(2),?]HEPTANE | 204.35 | ||
| TCMBANKIN038607 | Prostaglandin B1 | 28548-74-5; KBio2_005338; Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-; KBio2_000202; Bio2_000202; MLS000069509; 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid; LMFA03010131; PGB1; SMR000058636; NSC-165558; Bio1_000223; AIDS-003355; prostaglandin b1; NCGC00024019-04; AIDS003355; BSPBio_001482; 7-[2-[(3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid; KBioGR_000202; IDI1_033952; 1811-73-0; KBio3_000404; KBio3_000403; 7-[2-[(3S)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopentenyl]enanthic acid; 9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid; 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]heptanoic acid; C00959; KBio2_002770; CHEBI:27624; KBioSS_000202; NSC165558; NCGC00024019-03; CBiol_001937; P5265_SIGMA; Bio2_000682; 13345-51-2; (13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid; Prostaglandin- B1; Bio1_001201; Bio1_000712; 16363-22-7; 13345-42-1 | 336.47 | ||
| TCMBANKIN039904 | Umtatin | 274.27 g/mol | |||
| TCMBANKIN040287 | madasiatic acid | AC1NSXQ6; (1S,4aS,6bR,8R,10R,12aR,14bS)-8,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; madasiaticacid | C30H48O5 | 488.7 | CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)C)O)O)C)O)C)C2C1C)C)C(=O)O |
| TCMBANKIN040489 | Chinenoside VI | 903 g/mol | |||
| TCMBANKIN041911 | Cnidioside A | 368.3 g/mol | |||
| TCMBANKIN042100 | auraptenol | C15H16O4 | 260.285 | O1c(c(C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])O[H])c(OC([H])([H])[H])c([H])c2[H])c2C([H])=C([H])C1=O | |
| TCMBANKIN042745 | cnidimol A | cnidimol a | C15H16O5 | 276.285 | O1c(c([H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])O[H])\C([H])([H])[H])c2O[H])c2C(=O)C([H])=C1C([H])([H])[H] |
| TCMBANKIN042752 | cnidimol B | cnidimol b | C15H16O6 | 292.284 | O1c(c([H])c(O[C@@]([H])([C@@](C([H])([H])O[H])(O[H])C([H])([H])[H])C2([H])[H])c2c3O[H])c3C(=O)C([H])=C1C([H])([H])[H] |
| TCMBANKIN043270 | p-Coumaric acid | CHEBI:32373; Para-Coumaric acid; ZB001183; trans-4-Hydroxycinnamic acid; (E)-3-(4-Hydroxyphenyl)-2-propenoic acid; 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-; Naringeninic acid; p-Cumaric acid; CHEBI:36090; p-Coumaric acid,trans; 501-98-4; (E)-3-(4-hydroxyphenyl)acrylic acid; trans-4-coumarate; 4'-Hydroxycinnamic acid; 4-(2-Carboxyethenyl)phenolate; HC4; trans-4-hydroxycinnamate; trans-p-Coumarinic acid; 4-hydroxycinnamate anion; 3-(4-hydroxyphenyl)acrylic acid; (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 3-(4-hydroxyphenyl)prop-2-enoate; trans-p-Hydroxycinnamic acid; (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-p-Hydroxycinnamic acid; 3-(4-hydroxyphenyl)acrylate; trans-4-coumaric acid; trans-p-Coumaric acid; (2E)-3-(4-hydroxyphenyl)acrylate; 4-10-00-01005 (Beilstein Handbook Reference); C00811; (2E)-3-(4-hydroxyphenyl)acrylic acid; BRN 2207383; CHEBI:12876; beta-(4-Hydroxyphenyl)acrylic acid; Para coumaric acid; COUMARATE; MLS001066419; 28200_FLUKA; p-Hydroxyphenylacrylic acid; Cinnamic acid, p-hydroxy-; 4-Coumaric acid; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12; 7400-08-0; beta-[4-hydroxyphenyl]acrylic acid; A828008; p-coumaricacid; SBB007613; 4-Hydroxycinnamate; Cinnamic acid, p-hydroxy-, (E)-; SMR000112201; 0-10-00-00297 (Beilstein Handbook Reference); CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID; (E)-p-Coumaric acid; AIDS027710; CJ-00262; (2E)-3-(4-hydroxyphenyl)prop-2-enoate; 2-Propenoic acid, 3-(4-hydroxyphenyl)-; ZINC00039811; .beta.-[4-Hydroxyphenyl]acrylic acid; p-coumaric acid ; AC1NRBN2; InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3; trans-p-coumarate; (E)-3-(4-hydroxyphenyl)prop-2-enoic acid; 4-Oxylatocinnamate; p-Hydroxycinnamic acid; HYDROXYCINNAMIC ACID; EINECS 231-000-0; BRN 2207381; NSC 674321; Enamine_005378; 4-Hydroxycinnamic acid; CHEBI:32374; NSC674321; AIDS-027710; 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI); NSC59260; p-coumarate; (E)-3-(4-hydroxyphenyl)-2-propenoate; C9008_SIGMA; 3-(4-Hydroxyphenyl)-2-propenoic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid; 4-coumarate; NSC 59260 | C9H8O3 | 164.158 | c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H] |
| TCMBANKIN044029 | heptadecanoic acid | Heptadecanoate carnitine; Carnitine heptadecanoic acid; Heptadecanoylcarnitine; 3-carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-Propanaminium inner salt; CHEBI:131887; O-heptadecanoylcarnitine; LMFA07070067; 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate; Heptadecanoyl carnitine; C17 carnitine; Carnitine heptadecanoate; SCHEMBL19182624; Heptadecanoyl acid carnitine | C17H34O2 | 270.451 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])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(=O)O[H] |
| TCMBANKIN044252 | macrostemonoside A | AC1L53JJ; Tigogenin-3-O-beta-D-glucopyranosyl(1-2)(beta-D-glucopyranosyl(1-3))-beta-D-glucopyranosyl(1-4)-beta-D-galactopyranoside; beta-D-Galactopyranoside, (3-beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)- | C51H84O23 | 1065 | C([H])([H])([H])[C@@]1([H])C([H])([H])O[C@@]2(O[C@@]([H])(C([H])([H])[C@@]3([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]5([H])[C@]3([H])C([H])([H])C([H])([H])[C@]6([H])[C@]5(C([H])([H])[H])C([H ])([H])C([H])([H])[C@]([H])([C@@]7(O[C@@]8([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]8([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]9([H])O[C@@]([H])(C( [H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]9([H])O[H])[C@@]7([H])O[C@@]%10([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]%10([H])O[H])C6([H])[H])[C@]4([H])[C@]2([H])C([H])([ H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN044268 | cnidimol E | cnidimol e | C15H16O6 | 292.284 | O1c(c([H])c(O[H])c(C([H])([H])\C(\O[H])=C(/C([H])([H])[H])\C([H])([H])[H])c2O[H])c2C(=O)C([H])=C1C([H])([H])O[H] |
| TCMBANKIN044278 | Macrostemonoside B | ||||
| 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] |
| TCMBANKIN044980 | isovalerylshikonin | [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate; CHEMBL463439; isovalerylalkannin; Isovaleryl alkannin; AC1NSX6R; CJ-25124; I14-62674; ZINC1580028 | C21H24O6 | 372.4 g/mol | CC(C)CC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| TCMBANKIN045271 | 25R-Spirost-4-en-3,12-dione | ||||
| TCMBANKIN045507 | Cnidilide | 3-Butyl-3a,4,5,7a-tetrahydro-1(3H)-isobenzofuranone; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one; AK608287; 3674-03-1; CHEMBL2252753; DTXSID20190194; cnidilide; CTK4H7060; UXDIXFDKSPCUIX-AXFHLTTASA-N; SCHEMBL11967660; (3S,3aS,7aR)-3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,7a-tetrahydro-, (3S-(3alpha,3abeta,7abeta))-; (3s,3as,7ar)-3-butyl-3a,4,5,7a-tetrahydro-2-benzofuran-1(3h)-one; C16937; AC1Q6H2P; 3674/3/1; AKOS030573565; CHEBI:80808; AC1L4O3X | C12H18O2 | 194.27 g/mol | CCCCC1C2CCC=CC2C(=O)O1 |
| TCMBANKIN045762 | smilagenin-3-o-β-d-glucopyranosyl (1→2)-β-d-galactopyranoside | smilagenin-3-o-β-d-glucopyranosyl(1→2)-β-d-galactopyranoside | |||
| TCMBANKIN046249 | camphene | CHEMBL506889; CJ-04639; (-)-camphene; (-)-Camphene, technical grade, 75% (90% as camphene and fenchene); L-Camphene; DSSTox_RID_81702; (1S,4R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S)-; (1S)-2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane; DSSTox_CID_26538; FCH1121419; (1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane; 5794/4/7; C06305; (-) camphene; ZB015525; CC-00037; M5YAV509FN; UNII-G3VG94Z26E component CRPUJAZIXJMDBK-BDAKNGLRSA-N; DTXSID3046538; ZINC968230; CHEBI:89; (1S,4R)-camphene; (-)-Comphene; cam phene; DSSTox_GSID_46538; NCGC00166100-01; (-)-(1S,4R)-camphene; Bicyclo(2.2.1)heptane, 2,2-dimethyl-3-methylene-, (1S,4R)-; CAS-5794-04-7; EINECS 227-337-8; UNII-M5YAV509FN; CRPUJAZIXJMDBK-BDAKNGLRSA-N; (1S)-2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane; Tox21_112314 | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)C |
| TCMBANKIN046506 | cnidimol D | cnidimol d | C15H16O6 | 292.28 | CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)CO)O)CO |
| TCMBANKIN046601 | cnidimol C | cnidimol c | C10H8O5 | 208.168 | O1c(c([H])c(O[H])c([H])c2O[H])c2C(=O)C([H])=C1C([H])([H])O[H] |
| TCMBANKIN047474 | Kvannin | 8-(1-Methylethenyl)-2H-furo(2,3-h)-1-benzopyran-2-one; 1760-27-6; 8-isopropenylfuro[2,3-h]chromen-2-one; 2H-FURO[2,3-H]-1-BENZOPYRAN-2-ONE, 8-(1-METHYLETHENYL)-; 8-isopropenyl-2-furo[2,3-h]chromenone; 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-methylethenyl)-; 8-prop-1-en-2-ylfuro[2,3-h]chromen-2-one; 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-isopropenyl-; kvannin | C14H10O3 | 226.23 | CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=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 |
| TCMBANKIN048243 | d-quinovitol | C6H14O5 | 166.17 g/mol | CC(C(C(C(CO)O)O)O)O | |
| TCMBANKIN048484 | CTHD0233276-15 | ||||
| TCMBANKIN048813 | cnidiadin | 2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl 2-methylpropanoate; AC1NSTQ7 | C18H18O5 | 314.333 | C(OC(c(c([H])c(c(OC1=O)c2C([H])=C1[H])c3c([H])c2[H])o3)(C([H])([H])[H])C([H])([H])[H])(=O)C([H])(C([H])([H])[H])C([H])([H])[H] |
| TCMBANKIN048979 | Macrostemonoside C | ||||
| TCMBANKIN049539 | Edultin | ZINC2561231; Cnidimine; HMS2224K16; [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; MLS000574916; [(8S,9R)-8-(1-acetoxy-1-methyl-ethyl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; (Z)-2-methylbut-2-enoic acid [(8S,9R)-8-(1-acetoxy-1-methylethyl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] ester; SMR000156218; [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[5,4-h]chromen-9-yl] (Z)-2-methylbut-2-enoate; edultin; (Z)-2-methylbut-2-enoic acid [(8S,9R)-8-(1-acetoxy-1-methyl-ethyl)-2-keto-8,9-dihydrofuro[5,4-h]chromen-9-yl] ester; (8S,9R)-8-[2-(ACETYLOXY)PROPAN-2-YL]-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-9-YL (2Z)-2-METHYLBUT-2-ENOATE; CHEMBL1302068; AC1NSV18; 15591-75-0; Q-100934 | C21H22O7 | 386.4 | CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C |
| TCMBANKIN058015 | 1(7),8(10)-p-menthadien-9-ol | 1-(4-methylidenecyclohexyl)ethenol; AC1NSXYP;1-(4-methylidenecyclohexyl)ethenol; 1(7),8(10)-p-Menthadien-9-ol;2-(4-Methylenecyclohexyl)-2-propen-1-ol; 2-(4-methylidenecyclohexyl)prop-2-en-1-ol; 2-(4-methylenecyclohexyl)prop-2-en-1-ol; 29548-13-8; p-Mentha-1(7),8(10)-dien-9-ol;p-Mentha-1(7),8(10)-dien-9-ol;BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL;p-mentha-1(7),8(10)-dien-9-ol;1-(4-methylenecyclohexyl)ethenol | C10H16O | 152.23 g/mol | C=C1CCC(CC1)C(=C)CO |
| TCMBANKIN058025 | styrene | 105270-05-1; cinnamene; phenyl-ethylene; 61584-90-5; C19506; PPBRXRYQALVLMV-UHFFFAOYSA-N; 81415_FLUKA; 5487-EP2277945A1; MFCD00084450; CJ-04646; 52932-49-7; Benzene, ethenyl-, homopolymer; 20215_SUPELCO; Polystyrene, atactic; InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H; S4972_SIAL; 81413_FLUKA; 51609-87-1; Styrene, analytical standard; AKOS000119972; Polystyrene standard, M.W. 1,300, Mw/Mn 1.06; 182435_ALDRICH; viny lbenzol; Chromosorb 102,100/120 50G; S0651; 9055-91-8; Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water; 189596_ALDRICH; 61584-89-2; 37291-EP2311803A1; Polysorb; 379514_ALDRICH; 00945_FLUKA; 79637-11-9; 5487-EP2269995A1; 5487-EP2295426A1; Cinnamene; 172641-48-4; 730985-59-8; NCGC00091056-01; 5487-EP2309584A1; CCRIS 564; 81406_FLUKA; AI3-24374; 81412_FLUKA; 117294-EP2287158A1; 78354-47-9; 1191987-17-3; 110866-50-7; W323306_ALDRICH; Benzene, ethenyl-, homopolymer, hydrogenated; Polystyrene standard, M.W. 2,200, Mw/Mn 1.06; UN 2055 (Salt/Mix); 149212-19-1; 100-42-5; Vinylbenzene, inhibited; Cinnamenol; 1263545-74-9; 5487-EP2305686A1; Styrene 5000 ng/microl in Methanol; Ethenylbenzene; 373601-20-8; Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water; Phenethylene; FT-0689054; Polystyrene standard, M.W. 13,000, Mw/Mn 1.06; Styrene, SAJ first grade, >=99.0%; Styrol [German]; Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water; 58033-91-3; Styren; CHEBI:27452; MALDI validation set polystyrene Mp 500-70'000 certified according to DIN; 5487-EP2295415A1; Styrene Resin (Med.M.Wt.); Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water; 327808_ALDRICH; Chromosorb 106, 60/80 MESH, 50GM; 171022-09-6; Styrene polymer; 461733_ALDRICH; 03565_FLUKA; Styren [Czech]; 851588-70-0; NCGC00091056-03; Polystyrene standard, M.W. 30,000, Mw/Mn 1.06; DTXSID2021284; 00928_FLUKA; 5487-EP2298313A1; Polystyrene high Mol. Wt.; 40494-15-3; 5487-EP2275418A1; Styropor (Salt/Mix); RP18837; 55465-00-4; 5487-EP2287168A2; 12770-88-6; 81418_FLUKA; Styrene, 99.5% stab. with 4-tert-Butylcatechol; 81402_FLUKA; 131495-39-1; 5487-EP2270113A1; 11120-46-0; KSC176E4F; 81834-12-0; Polystyrene (100-200 mesh, PEG crosslinked); PhCH=CH2; Styropol (Salt/Mix); 327794_ALDRICH; Styrene 100 microg/mL in Methanol; Vinylbenzol; Styropol SO; Phenylethene; Vinylbenzen [Dutch]; 459364_ALDRICH; NSC-62785; Benzene, ethenyl-; Styron; Cinnaminol; 5487-EP2289883A1; Styrene solution; CHEMBL285235; 1161074-30-1; Chromosorb 103; Stirolo [Italian]; Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-; 53112-49-5; 5487-EP2289896A1; EINECS 273-493-5; Tox21_200808; Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water; 81407_FLUKA; 5487-EP2305685A1; Styrene monomer, inhibited; Vinyl benzene; 157929-02-7; Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water; 54596-41-7; 20202_SUPELCO; Ethylene, phenyl-; 5487-EP2280014A2; Styrene, 99%, stabilized 100ml; 5487-EP2380568A1; NCGC00091056-02; 00953_FLUKA; 1083095-63-9; W550159_ALDRICH; Polystyrene solution; Annamene; Chromosorb 101; 25038-60-2; 2-phenylethenyl; Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water; 00949_FLUKA; Polystyrene standard, M.W. 290,000, Mw/Mn 1.06; 68987-41-7; Ethylbenzene alkylate; 143365-EP2292620A2; Styreen; 86090-91-7; 327719_ALDRICH; 219782-52-2; 441772-62-9; 53986-84-8; 5487-EP2380867A1; 487021-46-5; 359762-95-1; Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water; KB-60631; 117294-EP2298762A2; 25086-18-4; 53395_FLUKA; 00946_FLUKA; 57657-06-4; 726192-11-6; Tox21_113245; 5487-EP2301924A1; NSC 62785; BIDD:ER0247; 39470-87-6; 143365-EP2287165A2; Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water; Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water; DSSTox_RID_76057; Phenylethylene, inhibited; 327824_ALDRICH; EC 202-851-5; 1198090-46-8; AC1Q2AAB; Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water; 5487-EP2311804A2; Polystyrene,flame retarding and impact resistant; 5487-EP2308832A1; 51876_FLUKA; 68441-35-0; Vinyl-benzene; 60880-98-0; DSSTox_CID_1284; 9044-64-8; Polystyrene standard, M.W. 5,200, Mw/Mn 1.06; STYRENE; NCGC00258362-01; Vinylbenzene; 23065-05-6; 644984-36-1; Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30; NCI-C02200; 143365-EP2287166A2; c0115; Bulstren K-525-19; 471865-10-8; Polystyrene standard, M.W. 25,000, Mw/Mn 1.06; Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water; Ethylenated benzene; 54578-24-4; 459410_ALDRICH; Polystyrene standard, M.W. 170,000, Mw/Mn 1.06; 81416_FLUKA; 00952_FLUKA; 00948_FLUKA; 8053AF; 00947_FLUKA; 327743_ALDRICH; Ethenylbenzene, 9CI; Polystyrene med Mol. Wt.; S0095; AN-24550; 5487-EP2311798A1; Styrene polymer-bound; 81401_FLUKA; 5487-EP2314577A1; 124229-31-8; CTK0H6242; Phenylethylene; Polystyrene latex microsphere, 1 micron, dry form; 459402_ALDRICH; Polystrene Standard broad 350'000; 20225_SUPELCO; Styron (Salt/Mix); Polystyrene standard, M.W. 4,000, Mw/Mn 1.06; 81409_FLUKA; 00926_FLUKA; 55128-06-8; Vinyl-polystyrene; Vinylbenzen [Czech]; 00951_FLUKA; 260975-79-9; 98444-30-5; Styrene monomer; Styrolene; 852837-17-3; ZB015538; Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water; 5487-EP2284165A1; 120037-99-2; FEMA Number 3234; Diarex hf 77; MCULE-4715354738; 5487-EP2311796A1; 182427_ALDRICH; 172867-64-0; 441147_ALDRICH; 161776-45-0; Styrene monomer, inhibited [UN2055] [Flammable liquid]; 45993_RIEDEL; 327786_ALDRICH; KS-00000VQV; 459372_ALDRICH; 327816_ALDRICH; Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water; Styreen [Dutch]; 81417_FLUKA; Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water; Styrene (monomer); Polystyrene standard, M.W. 123,000, Mw/Mn 1.08; 5487-EP2272849A1; Polystyrene standard, M.W. 900,000, Mw/Mn 1.10; 81403_FLUKA; TRA0031624; Polystyrene standard, M.W. 65,000, Mw/Mn 1.06; 5487-EP2298743A1; 155197-45-8; 63849-49-0; NCGC00091056-04; 81411_FLUKA; 81404_FLUKA; Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g; 5487-EP2272832A1; Polystyrene standard, M.W. 3,350, Mw/Mn 1.10; 459461_ALDRICH; 360046-70-4; ZINC112958499; I01-4405; 9003-53-6; 47745U_SUPELCO; Benzene, ethylenated; Styrol (German); Diarex hf 77 (Salt/Mix); 5487-EP2295438A1; ethenyl-benzene; 117294-EP2275408A1; Polystyrene, minimum number average molecular weight (in amu), 50,000; 37291-EP2311802A1; Polystyrene standard, M.W. 400,000, Mw/Mn 1.06; 20217_SUPELCO; 5487-EP2308857A1; 40257U_SUPELCO; 12627-11-1; UNII-44LJ2U959V; ANW-14280; ZINC968269; 1160710-79-1; C07083; Styrene solution, certified reference material, 200 mug/mL in methanol; 1227265-55-5; 53397_FLUKA; 330353_ALDRICH; 171022-02-9; POLYSTYRENE; Styrol; 459399_ALDRICH; Styrole; Stirolo; Polystrene Standard 88'000; Polystrene Standard broad 206'000; HSDB 171; Chromosorb 106; 327778_ALDRICH; Styropor; RT-000109; 327751_ALDRICH; 5487-EP2292593A2; LS-304; 459380_ALDRICH; 5487-EP2270101A1; 5487-EP2311797A1; 81419_FLUKA; 44LJ2U959V; 5487-EP2314579A1; 5487-EP2298753A1; p-vinyl benzene; 327727_ALDRICH; CAS-100-42-5; A800199; 60328-46-3; AC1L1OWJ; FT-0659991; 5487-EP2311799A1; NSC62785; 81410_FLUKA; MolPort-001-779-766; EINECS 202-851-5; Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water; Polystyrene standard, M.W. 2,000, Mw/Mn 1.10; FEMA No. 3233; 459356_ALDRICH; BP-13451; 56451-72-0; 81414_FLUKA; Styrene, >=99%; 81408_FLUKA; Cinnamol; Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water; Styrene monomer, inhibited [UN2055] [Flammable liquid]; Styropol; 00954_FLUKA; Z966690906; Polystyrene standard, M.W. 50,000, Mw/Mn 1.06; Benzene-d5, ethenyl-d3-; STL283958; 137262-45-4; 331651_ALDRICH; 450383_ALDRICH; 120534-26-1; CARINE; Chromosorb 103,80/100,50G; 5487-EP2305668A1; Benzene, vinyl-; 144637-93-4; 5487-EP2308865A1; 56748-62-0; 5487-EP2295427A1; 124229-48-7; 330345_ALDRICH; MFCD00008612; WLN: 1U1R; NCGC00091056-05; 5487-EP2272935A1; 60120-16-3; 1187742-34-2; Styrene, ReagentPlus(R), 99.9%; UN2055; Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water; Chromosorb 102; Vinylbenzen; DSSTox_GSID_21284; F1908-0130; 157243-21-5; 430102_ALDRICH; Styrene; 5487-EP2295420A1; Polystyrene, hydrogenated; Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%; Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water; Polystyrene standard, M.W. 650,000, Mw/Mn 1.06; Styrene-divinylbenzene Copolymer; SC-75569; 48347_SUPELCO | C8H8 | 104.15 g/mol | C=CC1=CC=CC=C1 |
| 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 |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058590 | Benzocyclobutene | bicyclo[4.2.0]octa-1,3,5-triene; 164410_ALDRICH; InChI=1/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H; 694-87-1;Bicyclo(4.2.0)octa-1,3,5-triene | C8H8 | 104.15 | C1CC2=CC=CC=C21 |
| TCMBANKIN058692 | 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-,Acetate | Perillylacetate;Perillyl acetate;(4-isopropenyl-1-cyclohexen-1-yl)methylacetate | C12H18O2 | 194.27 g/mol | CC(=C)C1CCC(=CC1)COC(=O)C |
| TCMBANKIN058716 | β-selinene | ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene | C15H24 | 204.35 g/mol | CC(=C)C1CCC2(CCCC(=C)C2C1)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 |
| TCMBANKIN058810 | alloimperatorin | 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo(3,2-g)(1)benzopyran-7-one; NSC 301051; DTXSID20214400; AC1Q6A0B; CHEBI:2599; 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one; KDXVVZMYSLWJMA-UHFFFAOYSA-N; ZINC898013; 9-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo[3,2-g]chromen-7-one; 7H-Furo[3,2-g][1]benzopyran-7-one; 9-hydroxy-4-(3-methyl-2-butenyl)-; 642-05-7; UNII-3043NX3603; MCULE-9129731017; 9085AF; ST4140654; Alloimperatorin; 9-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, .delta.-lactone; allo-imperatorin; Prangenidin; 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-4-(3-methyl-2-butenyl)-; STK691969; AKOS000276831; 3043NX3603; BG00977034; SCHEMBL6272567; MolPort-000-880-983; AC1L2C0Q; 7H-Furo[3, 9-hydroxy-4-(3-methyl-2-butenyl)-; C09053; NSC301051; NSC-301051; alloimperalorin; | C16H14O4 | 270.28 g/mol | CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C |
| TCMBANKIN058844 | Nerol acetate | 3, 6-octadienyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; EINECS 205-459-2; Meraneine; DSSTox_CID_654; Bay pine (oyster) oil; Acetic acid geranyl; 3,7-Dimethyl-2,6-octadienyl acetate; W277304_ALDRICH; Geraniol acetate; 166243_ALDRICH; ST50306944; Jsp000549; 8022-83-1; 130396-84-8; 45896_FLUKA; NSC-72031; trans-3,7-Dimethyl-2,6-octadienyl acetate; 2, 3,7-dimethyl-, acetate,(E)-; HSDB 586; FEMA Number 2509; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; 68311-13-7; 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-; NSC2584; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; I14-1178; NSC72031; ZX-AT010684; W-108778; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; W250902_ALDRICH; AC1LU7NR; BRN 1722814; MLS002152904; 3,7-Dimethyl-2,6-octadien-1-ylacetic acid; GERANYL ACETATE; Geranyl Acetate 98; SCHEMBL56913; HMS2268G10; W250910_ALDRICH; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; 68412-04-4; 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-; acetic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester; FEMA No. 2773; 16409-44-2; O310; NCGC00091394-02; 4-02-00-00204 (Beilstein Handbook Reference); 45897_FLUKA; Acetic acid geraniol ester; 130396-85-9; trans-Geraniol acetate; Geranyl acetate, >=97%; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; EINECS 203-341-5; acetic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester; Acetic acid, geraniol ester; AKOS015837938; 3,7-dimethyl-2,6-octadien-1-yl acetate; 1,6-Octadiene, 7-methyl-3-methylene-, acetylated; Tox21_202089; beta-Geranyl Acetate; WLN: 1Y & U3YU2OV1-T; Geranyl acetate, food grade (71% geranyl acetate, 29% citronellyl acetate); NCGC00259638-01; CCRIS 877; 141-12-8; acetic acid 3,7-dimethylocta-2,6-dienyl ester; Geranyl acetate, analytical standard; Geranyl ethanoate; MolPort-003-855-596; DSSTox_GSID_20654; CHEBI:5331; CHEMBL1369384; NERYLACETATE; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; C09861; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; GERANYL ACETATE FCC; NCGC00254482-01; Linalyl, neryl, geranyl acetates, mixture; AC1Q65TG; cis-3,7-Dimethyl-2,6-octadien-1-ol acetate; 2-02-00-00153 (Beilstein Handbook Reference); 3,7-Dimethyl-2,6-octadien-1-ol acetate; DSSTox_RID_75714; nerylacetate; CJ-24102; Acetic acid, geranyl ester; FEMA No. 2509; [(2Z)-3,7-dimethylocta-2,6-dienyl] ethanoate; 3,7-Dimethyl-2,6-octadien-1-ylacetate; ZINC01531610; DTXSID0020654; 3,7-Dimethyl-2,6-octadienyl acetate, mixture of isomers, >97.0% (sum of isomers, GC); 3,7-Dimethyloctyl acetate, tetradehydro derivative; EC 203-341-5; SCHEMBL56914; CAS-105-87-3; (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate; Tox21_300355; NCI-C54728; EINECS 240-458-0; Nerol acetate (6CI); Geranyl acetate, natural, FCC; TC-169893; 3,7-Dimethyl-2,6-octadienyl=acetate; ST5306944; 46015_FLUKA; 1-Octanol, 3,7-dimethyl-, 1-acetate, tetradehydro deriv.; EINECS 269-749-0; NSC 2584; Nerol acetate; HIGQPQRQIQDZMP-DHZHZOJOSA-N; (2E)-3,7-Dimethyl-2,6-octadienyl acetate #; 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-; Neryl ethanoate; trans-3,6-octadien-1-ol, acetate; I14-18212; Geranyl acetate, primary pharmaceutical reference standard; 2, 3,7-dimethyl-, acetate, (E)-; CC-35196; MFCD00015037; CHEBI:88568; 3,7-dimethylocta-2,6-dienyl ethanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-; 105-87-3; NCGC00091394-03; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; GERANYL ACETATE EXTRA; [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate; Geranyl acetate (natural); AI3-35817; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-; 3,7-dimethylocta-2,6-dien-1-yl acetate; 2, 3,7-dimethyl-, acetate, trans-; ZINC1531610; Geranyl acetate, cis-; Geranyl acetate, FCC; J-007463; Geranyl acetate; 173495_ALDRICH; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; BDBM50037025; BRN 1722815; 33843-18-4; SMR000127400; 3W81YG7P9R; NCGC00091394-01; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; 3,7-Dimethyl-2E,6-octadienyl acetate; Geranyl acetate A; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; 2,6-Dimethyl-2,6-octadiene-8-yl acetate; AN-22398; OR6044; geranylacetat; NCGC00091394-04; Neryl acetate; UNII-3W81YG7P9R; CJ-05234; G0028; Trans-3,7-dimethyl-2,6-octadien-1-yl ethanoate; Geranyl Acetate 60; 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv.; Monoterpene Acetate mixture; NSC-2584; AI3-00207; trans-3,7- dimethyl-2,6-octadien-1-ol acetate; LMFA07010189; Neryl acetate (natural); 3,7-Dimethylocta-2,6-dienyl acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate; LS-2979; trans-geranyl acetate;nerolacetate | C12H20O2 | 196.29 g/mol | CC(=CCCC(=CCOC(=O)C)C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058902 | 3-methyl-2-buten-1-ol | CAS-556-82-1; DTXSID2027206; CHEBI:16019; 3-METHYL-2-BUTEN-1-OL; ST24042313; Prenyl alcohol; butenol methyl; 3,3-Dimethylallyl alcohol; Prenyl alcohol; 2-Buten-1-ol, 3-methyl-; TR-019627; 3,3-Dimethylallyl alcohol, Prenol; BB_NC-2261; STL163363; NSC-158709; AC1Q1NVX; 3-Methyl-2-butenyl alcohol; AKOS005716671; J-003259; KS-00000W7D; BG00599810; 3-methyl-2 -buten-1-ol; UNII-55MY0HM445; gamma-Methylcrotyl Alcohol; AC1L1WRV; NCGC00259783-01; J-512892; RP18453; 3-methyl-2-buten-1ol; Tox21_303419; 3-Methyl-2-butenol; 4-01-00-02129 (Beilstein Handbook Reference); EC 209-141-4; MFCD00002916; PRENOL (3-METHYL-2-BUTEN-1-OL); 3-Methylbut-2-en-1-ol; AJ-24267; NCGC00249194-01; MCULE-3984123588; C01390; 3-methyl-but-2-en-1-ol; TRA0070929; ASUAYTHWZCLXAN-UHFFFAOYSA-N; 3-Methyl-2-buten-1-ol, >=98%, FG; 556-82-1; NSC 158709; Methyl-3-but-2-en-1-ol; DSSTox_CID_7206; Dimethylallyl alcohol; DSSTox_GSID_27206; LMFA05000106; ZINC897129; ACMC-1AZ43; .gamma.,.gamma.-Dimethylallyl alcohol; 2-Butenol, 3-methyl; AN-23688; AC1Q77UI; 135146-66-6; 3,3-Dimethylallyl alcohol; SC-77150; MolPort-001-793-102; CTK1H1855; 3-methylbut-2-enol; FEMA 3647; 55MY0HM445; NSC158709; ANW-32368; NE10242; I14-6190; Tox21_202234; AK-48339; FEMA No. 3647; CHEMBL3184952; 3-Methylcrotyl alcohol; DSSTox_RID_78350; LS-2909; FT-0616060; KSC271Q5L; InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H; A830750; NCGC00257241-01; EBD5438; 2-methyl-2-buten-4-ol; M0714; KB-70950; 56M821; RTR-019627; EINECS 209-141-4; Prenol; BBL011665; 3-Methyl-2-butene-1-ol; BRN 1633479; Prenol; 3-methyl-2-buten-ol | C5H10O | 86.13 g/mol | CC(=CCO)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 |
| TCMBANKIN058991 | Fenchylacetat | Fenchylacetate; .beta.-Fenchyl acetate, exo-; fenchyl acetate; [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethyl-2-norbornanyl] ester; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] ethanoate; [(1S,4R,6R)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate; acetic acid [(1S,2R,4R)-1,3,3-trimethylnorbornan-2-yl] ester; Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S,2R,4R)-; 76109-40-5 | C12H20O2 | 196.29 | CC(=O)OC1C(C2CCC1(C2)C)(C)C |
| TCMBANKIN059133 | cniforin A | 3'-isobutyryloxy-o-acetyl-2',3'-dihydro-oroselol; AC1NSWYB; [8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 2-methylpropanoate | C20H22O7 | 374.38 | CC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C |
| TCMBANKIN059217 | beta-Bourbonene | (-)-beta-Bourbonene;beta .-Bourbonene;(-)-β-Bour-bonene; Bourbonene, beta-; Cyclobuta(1,2:3,4)dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; β-bourbonene; Decahydroisopropylmethylmethylenecyclobuta(1,2:3,4)dicyclopentene; beta-bourbonene; 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene; Decahydro-3a-methyl-6-methylene-1-(1-methylethyl)cyclobuta(1,2:3,4)dicyclopentene, (1S-(1alpha,3aalpha,3bbeta,6abeta,6balpha))-; beta- Bourbonene; 13833-27-7; β- Bourbon ene; Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bbeta,4,5,6,6abeta,6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene | C15H24 | 204.35 | CC(C)C1CCC2(C1C3C2CCC3=C)C |
| TCMBANKIN059234 | bornyl isovalerate;bornyl isovalerianate;Isobornyl;Isobornyl isovalerate | Bornyl isovalerianate; 76-50-6; A838728; AI3-04348; BORNYL ISOVALERATE; endo-3-Methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester; NSC 68007; Bornyl 3-methylbutanoate; Bornyval; 2-Bornyl 3-methylbutyrate; FEMA No. 2165; 2-Bornyl isovalerate; Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-; Bornyl isopentanoate; Isovaleric acid, 2-bornyl ester (7CI,8CI); LS-2588; endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate; [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate; 3-methylbutanoic acid [(3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester; Isovaleric acid, 2-bornyl ester; Hysterol; endo-Bornyl isovalerate; Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-; EINECS 200-966-5; Iso-valerianate de bornyle [French]; bornylisovalerate | C15H26O2 | 238.37 | CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C |
| TCMBANKIN059286 | polyfuroside; (25r)-26-o-β-d-glucopyranosyl-22-hydroxy-furost-5(6)-ene-3β,26-diol-3-o-β-d-glucopyra-nosyl(1→2)[β-d-glucopyranosyl(1→3)]-β-d-glucopyranosyl(1→4)-β-d-galactopyranoside | C57H94O29 | 1243.34 | CC(C1=CC=C(C=C1)S(=O)C)NC(=O)N2CC(C(C2)C(F)(F)F)C(=O)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 |
| TCMBANKIN059486 | xanthoxyletin | C15H14O4 | 258.27 g/mol | CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C | |
| TCMBANKIN059518 | 1,3,3-trimethyltricyclo[2.2.1.02,6]heptane | C10H16 | 136.23 g/mol | CC1(C2CC3C1C3(C2)C)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 | |
| TCMBANKIN059527 | (+)-Camphene | C10H16 | 136.23 g/mol | CC1(C2CCC(C2)C1=C)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 | |
| TCMBANKIN059764 | cthd0233276-21 | C45H74O18 | 903.06 | CC1=C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)CCC(C)COC8C(C(C(C(O8)CO)O)O)O | |
| TCMBANKIN059902 | 1-Methyl-4-isopropenyl-benzene | C10H12 | 132.2 g/mol | CC1=CC=C(C=C1)C(=C)C | |
| 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 | |
| TCMBANKIN059906 | ar-tumerone | C15H20O | 216.32 g/mol | CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C | |
| TCMBANKIN059907 | (+)-alpha-Curcumene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C(C)CCC=C(C)C | |
| TCMBANKIN059925 | Silvan | C5H6O | 82.1 g/mol | CC1=CC=CO1 | |
| TCMBANKIN059960 | (-)-g-cadinene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=C)CCC2C(C)C | |
| TCMBANKIN059962 | cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a． alpha．,8a alpha． )- naphthalene;alpha cadinene;α-muurolene | C15H24 | 204.35 g/mol | CC1=CC2C(CC1)C(=CCC2C(C)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 | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059995 | l-Carvyl acetate | C12H18O2 | 194.27 | CC1=CCC(CC1OC(=O)C)C(=C)C | |
| TCMBANKIN059999 | beta-Chamigrene | C15H24 | 204.35 g/mol | CC1=CCC2(CC1)C(=C)CCCC2(C)C | |
| TCMBANKIN060001 | thujopsene | C15H24 | 204.35 g/mol | CC1=CCC2(CCCC(C23C1C3)(C)C)C | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| TCMBANKIN060019 | Germacrene B | C15H24 | 204.35 | CC1=CCCC(=CCC(=C(C)C)CC1)C | |
| TCMBANKIN060229 | Glycoside H1;kalopanaxsaponin B;akebin b;akebin f;Akeboside sth;tauroside h 2 | C59H96O26 | 1149.48 | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)CO)O)O)O | |
| TCMBANKIN060453 | α-acoradiene;Acoradiene | C15H24 | 204.35 | CC1CCC(C12CCC(=CC2)C)C(=C)C | |
| TCMBANKIN060530 | methyl euscaphate | C31H50O5 | 502.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)OC | |
| TCMBANKIN060650 | 2,3,4-TRIMETHYLHEXANE | C9H20 | 128.25 g/mol | CCC(C)C(C)C(C)C | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060691 | poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol | C29H50O | 414.71 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060694 | 24-Ethylcholest-4-en-3-one | C29H48O | 412.69 | CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C | |
| TCMBANKIN060807 | 3-methylheptane | C8H18 | 114.23 | CCCCC(C)CC | |
| TCMBANKIN060819 | 2-heptenal;E-2-Heptenal;cis-Hept-2-enal;trans-2-heptenal;(E)-2- heptenal;Heptenal;beta-heptenal;(Z)-2-heptenal;2- Heptenal,(E)-;alpha-heptenal | C7H12O | 112.17 g/mol | CCCCC=CC=O | |
| TCMBANKIN060841 | (E)-non-2-en-4-one | C9H16O | 140.22 g/mol | CCCCCC(=O)C=CC | |
| TCMBANKIN060850 | 2-methyl-Heptane | C8H18 | 114.23 g/mol | CCCCCC(C)C | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=O | |
| TCMBANKIN060877 | 1-methyl-2-[(4z,7z)-4,7-tridecadienyl]-4(1h)-quinolone | C23H31NO | 337.5 g/mol | CCCCCC=CCC=CCCCC1=CC(=O)C2=CC=CC=C2N1C | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060922 | Octane | C8H18 | 114.23 g/mol | CCCCCCCC | |
| TCMBANKIN060955 | Hypogaeic acid | C16H30O2 | 254.41 g/mol | CCCCCCCCC=CCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060959 | Methyl oleate | C19H36O2 | 296.5 g/mol | CCCCCCCCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060996 | UND | C11H24 | 156.31 g/mol | CCCCCCCCCCC | |
| TCMBANKIN061001 | 2-TRIDECENAL | C13H24O | 196.33 g/mol | CCCCCCCCCCC=CC=O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061044 | Pentadecanoate | C15H29O2- | 241.39 g/mol | CCCCCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061090 | n-octadecane;Oktadekan;octadecane | C18H38 | 254.49g/mol | CCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061100 | nonadecane | C19H40 | 268.5 g/mol | CCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061102 | LFA | C20H42 | 282.55 g/mol | CCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061111 | heneicosane | C21H44 | 296.57 | CCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061134 | Hexacosanoic acid | C26H52O2 | 396.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061138 | Montanic acid | C28H56O2 | 424.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061489 | Diosmetin | C10038; 520-34-3; AIDS-214630; KBioGR_001586; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one; SpecPlus_000435; Spectrum3_000987; Spectrum_001505; SDCCGMLS-0066783.P001; diosmetin; ST5331610; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one; Spectrum4_001113; DivK1c_006531; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-; KBio1_001475; 3',5,7-trihydroxy-4'-methoxy flavone; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one; SPBio_001735; Spectrum5_001707; KBioSS_001985; KBio2_004553; AIDS214630; KBio2_001985; NCGC00163540-01; EINECS 208-291-8; KBio2_007121; 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; Luteolin 4'-methyl ether; KBio3_001873; 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone; CHEBI:4630; 3',5,7-trihydroxy-4'-methoxyflavone; Spectrum2_001638; BSPBio_002653; 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone; 5,7,3'-trihydroxy-4'-methoxyflavone | C16H12O6 | 300.26 g/mol | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)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 |
| TCMBANKIN061946 | allyl methyl trisulfide | 1-Allyl-3-methyltrisulfane; EINECS 251-843-8; I09-0154; 983O8ZL28A; 1-methyl-3-(prop-2-en-1-yl)trisulfane; C4H8S3; Methyl allyl trisulphide; Trisulfide, allyl methyl; JGMPRNFEEAJLAJ-UHFFFAOYSA-N; DB-003719; 4,5,6-Trithia-1-heptene; FEMA No. 3253; AKOS006282483; FCH834825; 3-(methyltrisulfanyl)prop-1-ene; LS-157723; 1-Allyl-3-methyltrisulfane; 1-Methyl-3-(2-propen-1-yl)-trisulfane; 1-Methyl-3-(prop-2-en-1-yl)trisulfane; A822088; Methyl allyl trisulfide; UNII-983O8ZL28A; 34135-85-8; FT-0652398; SCHEMBL534079; ACM34135858; CTK1C5249; KB-47210; C-51302; ALLYL METHYL TRISULFIDE; CCRIS 3265; AB1006017; Methylallyl trisulfide; AC1L1W61; DTXSID30187717; 3-methylsulfanyldisulfanylprop-1-ene; Methylallyltrisulfide; L939; 135A858; Methyl 2-propenyl trisulfide; Trisulfide, methyl 2-propenyl; Allyl methyl trisulphide; 3-(methyltrisulfanyl)-1-propene;1-Allyl-3-methyltrisulfane; EINECS 251-843-8; I09-0154; 3-(methylthio)disulfanylprop-1-ene; 983O8ZL28A; 1-methyl-3-(prop-2-en-1-yl)trisulfane; C4H8S3; Methyl allyl trisulphide; Trisulfide, allyl methyl; JGMPRNFEEAJLAJ-UHFFFAOYSA-N; DB-003719; 4,5,6-Trithia-1-heptene; FEMA No. 3253; AKOS006282483; FCH834825; 3-(methyltrisulfanyl)prop-1-ene; LS-157723; 1-Allyl-3-methyltrisulfane; 1-Methyl-3-(2-propen-1-yl)-trisulfane; 1-Methyl-3-(prop-2-en-1-yl)trisulfane; A822088; Methyl allyl trisulfide; UNII-983O8ZL28A; 34135-85-8; FT-0652398; SCHEMBL534079; ACM34135858; CTK1C5249; KB-47210; C-51302; ALLYL METHYL TRISULFIDE; CCRIS 3265; AB1006017; (allylthio)disulfanylmethane; AC1L1W61; methyl allyl trisulfide; DTXSID30187717; 3-methylsulfanyldisulfanylprop-1-ene; Methylallyltrisulfide; L939; 135A858; Methyl 2-propenyl trisulfide; Trisulfide, methyl 2-propenyl; Allyl methyl trisulphide; 3-(methyltrisulfanyl)-1-propene;Methylallyl trisulfide | C4H8S3 | 152.3 g/mol | CSSSCC=C |
植物对应的疾病
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植物对应的靶点
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