Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE007954 |
ID: | TCMBANKHE007954 |
植物拉丁名: |
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功能与主治: | To relieve rheumatic conditions, and to eliminate blood stasis and alleviate pain./Tachycardia, palpitation, hypertension, wind-damp impediment pain, knocks and falls, intractable lichen. |
药用植物名: | 闹羊花 |
药用部位: | flower |
治疗类型: | 祛风湿散寒药 |
TCM_ID_id: | 5827 |
SymMap_id: | 300 |
TCMSP_id: | 1016 |
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 |
|---|
| TCMBANKIN000635 | sparteine | EBD2202131; DSSTox_CID_3591; 298897D62S; AK122435; NCGC00142614-01; 90-39-1; RL05684; (7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; L-SPARTEINE; Ambotz90-39-1; Sparteina; 7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)-; C10783; InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/s; (7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; Esparteina; CAS-90-39-1; ST24033390; TL8005816; Spartein; ZINC1408502; AJ-67273; CS-W012901; Alkyl Polyglucoside; KS-00000OBL; Sparteinum; UNII-298897D62S; 6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine; MLS002207055; KB-209108; CHEMBL1908847; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-; AC1LVZQY; Sparteinum [INN-Latin]; Alkylamphopropionate; 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine, dodecahydro-, [7S-(7alpha,7aalpha,14alpha,14abeta)]-; AKOS016012217; FT-0080874; 6beta,7alpha,9alpha,11alpha-Pachycarpine; Sparteine (-); (6''R'',8''S'',10''R'',12''S'')-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane; MLS000028889; NCGC00181124-02; (-)-Sparteine, >=98.0% (GC); Sparteina [DCIT]; Esparteina [INN-Spanish]; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-; Sparteine [INN]; CHEBI:28827; (+)-Spartein; DSSTox_RID_77098; DSSTox_GSID_23591; (-)sparteine; Prestwick3_000618; lupinidine; 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)-; SCHEMBL79043; (-)-Sparteine; [7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine; BPBio1_000612; Prestwick_426; (-)-Lupinidine; HMS2096L18; (-) sparteine; Sparteine; (7S,7aR,14S,14aS)-Tetradecahydro-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine; Lupinidin; NCGC00016346-01; SMR000059203; Tox21_110386_1; EINECS 201-988-8; Genisteine Alkaloid; Sparteine (6CI,8CI); BSPBio_000556; SLRCCWJSBJZJBV-ZQDZILKHSA-N; Tox21_110386; AC1LD8G5 | C15H26N2 | 234.38 g/mol | C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
| TCMBANKIN001868 | isoterchebin | C41H30O27 | 954.66 | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O1)O)O | |
| TCMBANKIN002192 | 2,3-di-o-galloyl-d-glucose | C20H20O14 | 484.4 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC(C=O)C(C(C(CO)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O | |
| TCMBANKIN005236 | 2-furanmethannl | ||||
| TCMBANKIN005395 | benzyl cinnamate | Benzyl (2E)-3-phenyl-2-propenoate; 103-41-3; Benzyl alcohol cinnamic ester; (Z)-3-Phenylacrylic acid benzyl ester; (Z)-Benzyl 3-phenylacrylate; Benzyl laquo gammaRaquo -phenylacrylate; ZINC4803379; Cinnamic acid, benzyl ester, (Z)-; Benzylcinnamate; NSC44403; benzyl (z)-cinnamate; 2-Propenoic acid, 3-phenyl-, phenylmethyl ester, (2Z)-; NGHOLYJTSCBCGC-QXMHVHEDSA-N; WLN: R1U1VO1R; NSC-11780; 2-Propenoic acid, 3-phenyl-, phenylmethyl ester; CJ-12300; Benzyl .gamma.-phenylacrylate; Benzyl alcohol, cinnamate; Benzyl cis-cinnamate; NSC11780; benzyl (2Z)-3-phenylprop-2-enoate; FEMA 2142; NSC-44403 | C16H14O2 | 238.28 g/mol | C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2 |
| TCMBANKIN005718 | tauremisin | (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione; NCGC00247310-02; Tauremizin; AC1L3RU8; CTK8E0358; NCGC00247310-01; Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)-; (3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,5a,9,9a-hexahydronaphtho[1,2-b]furan-2,6(3H,9bH)-dione; 34319-09-0; HMS2225C10; 3162-56-9; NCGC00247310-03_C15H20O4_(3S,3aS,5aR,9R,9aS,9bS)-9-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione; ZINC3881676; Barrelin; Judaicin (sesquiterpene); MLS001185447; 3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-3,5a,9-trimethylnaphtho(1,2-b)furan-2,6(3H,4H)-dione; Judaicin (eudesmane naphthofuran); MolPort-002-507-199; Vulgarin, >=90% (LC/MS-ELSD); LS-68583; MCULE-9439093573; BG00615162; C09600; Vulgarin; BBL034028; 17237-80-8; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)-; (3s,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3h,4h)-dione; Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta))-; BB_NC-0703; 1351-48-0; 5091/7/6; Tauremisin; Judaicin; SMR000445685; CHEMBL1422618; AKOS001483019; CHEBI:10024; (3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione; MCULE-3300544479; MLS000728573; STK013739 | C15H20O4 | 264.32 g/mol | CC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C |
| TCMBANKIN005922 | 3,6-digallylglucose | AC1O4QKO; [(2R,3R,4R,5R,6S)-3,5,6-trihydroxy-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate | C20H20O14 | 456.44 | |
| TCMBANKIN006542 | glucosyringicacid | gluco-syringic acid; glucosyringic acid | C15H20O10 | 360.31 g/mol | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C(=O)O |
| TCMBANKIN007212 | rhodotoxin II | 412.58 | |||
| TCMBANKIN011535 | Cornusiin G | cornusiin g | C75H56O48 | 1725.2 g/mol | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)OC8=C(C(=C(C=C8C(=O)OCC9C(C(C(C(O9)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)O)O)O)O)O)O)O |
| TCMBANKIN012636 | tetrahydroalstonine | Tetrahydroalstonine; C11682; 6474-90-4; Alstonine, 3,4,5,6-tetrahydro- (8CI); 4-27-00-07926 (Beilstein Handbook Reference); NCGC00163632-01; Prestwick1_000593; PDSP2_001642; Prestwick2_000593; SPBio_002685; NSC 72115; Alstonine, 3,4,5,6-tetrahydro; 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester; 4CN-0678; SCHEMBL14095094; BRN 0097270; EINECS 229-331-0; METHYL (15S,16S,20S)-16-METHYL-17-OXA-3,13-DIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,18-PENTAENE-19-CARBOXYLATE; MFCD00083501; Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate; Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-; AIDS-003047; Prestwick_462; CHEBI:95146; HMS1569H08; Prestwick0_000593; AKOS032948288; Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-; AIDS003047 | C21H25N2O3+ | 353.4 g/mol | CC1C2C[NH+]3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| TCMBANKIN013999 | Cornudentanone | (2R)-1-(5-Methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tridecan-2-yl acetate; [(1R)-1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]dodecyl] acetate; cornudentanone | C22H34O5 | 378.5 | CCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C |
| TCMBANKIN016720 | malkangunin | C24H32O7 | 432.51 | CC1CCC(C2(C13CC(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)CO)O | |
| TCMBANKIN017368 | 2-(furan-2-yl)-S-(2,3,4-trihydroxybutyl)-1,4-diazine | ||||
| TCMBANKIN018001 | dehydrologanin | METHYL 7-METHYL-6-OXO-1-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-1H,4AH,5H,7H,7AH-CYCLOPENTA[C]PYRAN-4-CARBOXYLATE | C17H24O10 | 388.4 g/mol | CC1C2C(CC1=O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC |
| TCMBANKIN018452 | everninicacid methyl ester 2-o-β-xylopyra-nosyl-(1→6)-β-glucopyranoside | C21H30O13 | |||
| TCMBANKIN020123 | 492-06-8 | Prestwick2_000618; SPBio_002775; STOCK1N-51759; 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7R-(7alpha,7abeta,14alpha,14abeta))-; Prestwick0_000618; Prestwick1_000618 | C15H26N2 | 234.38 | C1CCN2CC3CC(C2C1)CN4C3CCCC4 |
| TCMBANKIN020227 | isoamylamine | I0082; isopentyl amine; Monoisopentylamine; 107-85-7; .gamma.-Isoamylamine; 3-methylbutyl amine; Propylamine, 3,3-dimethyl-; LPO0L33SHY; ACMC-1C2LR; UNII-LPO0L33SHY; FEMA No. 3219; iso-pentylamine; (3-methylbutyl)amine; Butylamine, 3-methyl-; DTXSID7059355; GTPL5506; ISOAMYLAMINE, REAG; DB-040790; ZINC4658584; isoamylamin; InChI=1/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H; BDBM50024589; 3-Methyl-1-butanamine; AC1L1PSO; 541-23-1 (hydrochloride); Isopentylamine; (3-methyl-but-1-yl)-amine; KS-00000UUZ; BMFVGAAISNGQNM-UHFFFAOYSA-N; 3-Methylbutylamine; 7347AF; AC1Q1PDF; 3-METHYLBUTAN-1-AMINE; 3,3-Dimethylpropylamine; 3,3-dimethyl-propylamine; AI3-24040; 1-Amino-3-methylbutane; Isovalerylamine; Isopentylamine, 99%; NSC7907; 3-Methyl-1-butylamine; MCULE-3081003576; ANW-15857; 2-(2-isopropyl)ethylamine; ISOAMYLAMINE; 3-Methyl-1-butanamine, 9CI; amino 3-methylbutane; C02640; J-002023; CHEMBL42003; CHEBI:43689; TRA0089077; AKOS000119764; D0XO7J; 3-Methyl-Butan-1-Amine; FT-0616144; iso-amyl amine; Monoisoamylamine; MFCD00008203; EC 203-526-0; AC1Q5499; EINECS 203-526-0; 1-Aminoisopentane; TR-001873; 1-Butanamine, 3-methyl-; 3-Methylbutanamine; FEMA 3219; I14-17836; Isopentylamine, >=98%; F2190-0364; Leucamine; Isopentylamine, purum, >=98.0% (GC); 3-Methyl-1-butanamine #; MolPort-001-791-387; 3-methyl butylamine; NSC-7907; NSC 7907; 3-Methyl-Butylamine; RTR-001873; CTK0H8363; isoamyl amine; laquo gammaRaquo -isoamylamine; LTBB005417; Isopentylamine, analytical standard; LEN; 11149-EP2316828A1; 3-methyl-butyl-amine; Isobutylcarbylamine; gamma-Isoamylamine | C5H13N | 87.16 g/mol | CC(C)C(C)N |
| TCMBANKIN020515 | rhododendrin | C16H24O7 | 328.36 g/mol | CC(CCC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O | |
| TCMBANKIN021107 | 7,8-Dehydropenstemoside | 7, 8-dehydropenstemoside; CHEMBL517923; 5,9-epi-7,8-didehydropenstemoside; 7,8-dehydropenstemoside | C17H24O11 | 404.4 g/mol | CC1=CC(C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| TCMBANKIN021308 | rhmotoxin,rtx | rhmotoxin, rtx | |||
| TCMBANKIN022298 | 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromone | 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4-chromenone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one; 1486-66-4; 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,5-dimethoxychromen-4-one | C17H14O7 | 330.29 | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O |
| TCMBANKIN023811 | 7-O-methylmorroniside | 7-o-methyl morroniside; AC1O3DP6; methyl 3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate | C18H28O11 | 420.4 g/mol | CC1C2C(CC(O1)OC)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC |
| TCMBANKIN025505 | tartaric acid | tartaricacid; LS-188035 | C4H6O6 | 150.09 g/mol | C(C(C(=O)O)O)(C(=O)O)O |
| TCMBANKIN026717 | sparassol | methyl 4-methoxy-6-methyl-salicylate; Spectrum2_000404; UNII-49LGW9K0EH; CHEBI:92544; Spectrum5_001794; Sparassol; 520-43-4; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate; PFVPJOAAHSOENR-UHFFFAOYSA-N; AKOS000278016; KBioGR_001562; Sparassol [MI]; SPECTRUM210924; Spectrum4_000951; BG01204997; SPBio_000328; 49LGW9K0EH; SCHEMBL950536; SR-05000002435; SDCCGMLS-0066908.P001; 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; Methyl everninate; CHEMBL1595401; METHYL EVERNINIC ACID; Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #; 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester; KBio3_001208; Methyl 4-methoxy-6-methylsalicylate; AC1LC8Q4; Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester; BSPBio_001708; CCG-38673; 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester; SR-05000002435-1; Spectrum3_000264; NCGC00095818-02; methyl 2-hydroxy-4-methoxy-6-methyl-benzoate; NCGC00095818-01; BRD-K31477169-001-01-3 | C10H12O4 | 196.2 g/mol | CC1=CC(=CC(=C1C(=O)OC)O)OC |
| TCMBANKIN027155 | alpha-Corocalene | VTUZIFHLLUSULC-UHFFFAOYSA-N; Naphthalene, 1,2-dihydro-3,8-dimethyl-5-(1-methylethyl)-; alpha-corocalene; 3,8-dimethyl-5-propan-2-yl-1,2-dihydronaphthalene; 4-ISOPROPYL-1,6-DIMETHYL-7,8-DIHYDRONAPHTHALENE; 5-isopropyl-3,8-dimethyl-1,2-dihydronaphthalene; AC1NSTTR; Cadina-1(6),4,7,9-tetraene; 20129-39-9; α-corocalene; 5-Isopropyl-3,8-dimethyl-1,2-dihydronaphthalene; 1,6-dimethyl-4-isopropyl-7,8-dihydro-naphthalene; 3,8-dimethyl-5-(propan-2-yl)-1,2-dihydronaphthalene; 1,2-Dihydro-5-isopropyl-3,8-dimethylnaphthalene; 1,6-Dimethyl-4-isopropyl-7,8-dihydronaphthalene; 1,2-Dihydro-3,8-dimethyl-5-(1-methylethyl)naphthalene; .alpha.-Corocalene | C15H20 | 200.32 g/mol | CC1=CC2=C(C=CC(=C2CC1)C)C(C)C |
| TCMBANKIN029045 | Telocinobufagin | telocinobufagin | C24H34O5 | 402.5 g/mol | CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O |
| TCMBANKIN029526 | rhodojaponinIII | UNII-C7FEJ7QWQE; LMPR0104180003; C7FEJ7QWQE; rhodojaponin iii; 2beta,3beta-epoxy-grayanotpxane-5beta,6beta,10alpha,14beta,16beta-pentol; 26342-66-5; MolPort-039-339-095; ZINC100383069; CHEMBL3763486; Rhodojaponin III; Rhodojaponin-III | C20H32O6 | 368.46 | CC1(C2C(O2)C3C1(C(CC45CC(C(C4O)CCC5C3(C)O)(C)O)O)O)C |
| TCMBANKIN031512 | 1,2,3-tri-o-galloyl-d-glucose | 1, 2, 3-tri-o-galloyl-d-glucose | C27H24O18 | 636.5 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(OC(C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)CO)O |
| TCMBANKIN034024 | 3,,5-dihydroxybenzoicacid-o-xylopyranosyl-glucopyranoside | 532.6 | |||
| TCMBANKIN035111 | Cornin | Verbenalin (6CI,7CI,8CI); methyl 7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate; cornin; 17807_FLUKA; methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylate; Verbenalol, beta-D-glucopyranoside; Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-; SMR001574175; 548-37-8; (1S,4aS,7S,7aR)-5-keto-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester; Cyclopenta[c]pyran-4-carboxylic acid,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, [1S-(1.alpha.,4a.alpha.,7.alpha.,7a.alpha.)]-; C09802; Verbenalol, .beta.-D-glucopyranoside; Glucopyranoside, verbenalol, beta-D-; NCGC00160232-01!VERBENALIN; NSC118055; LMPR01020117; Cornin (glycoside); AC1Q6ECE; methyl 1-(hexopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,6,7,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylic acid methyl ester; Verbenaloside; Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))- (9CI); AC1L6SP2; Verbenalin; MLS002706776; methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[d]pyran-4-carboxylate; NSC 118055; NSC-118055 | C17H24O10 | 388.37 | CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036829 | ursolic acid | ursolicacid; U6753_SIGMA; AIDS-039057; AKOS022168209; Urs-12-en-28-oic acid, 3beta-hydroxy- (8CI); 77-52-1; s2370; 3beta-Hydroxyurs-12-en-28-oic acid; SMR000445681; NSC4060; MLS000728569; Ursolic acid; TOS-BB-0966; 3beta-Hydroxy-12-ursen-28-ic acid; (1S,2R,4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1H-picene-4-carboxylic acid; ursolic acid ; BSPBio_000018; NSC 167406; H719; 89797_FLUKA; EINECS 201-034-0; Prunol; BPBio1_000020; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-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; AI3-03109; CHEBI:9908; ST056289; Ursolicacid; AC-8029; Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-; Ursolic acid (Malol); CCRIS 7123; BC216337; Urson; (3beta)-3-Hydroxyurs-12-en-28-oic acid; Prestwick3_000089; Malol; C08988; AKOS015965499; SCHEMBL1699371; MolPort-016-633-342; 209545-05-1; AS-13246; AIDS039057; NSC 4060 | C30H48O3 | 456.7 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)[O-] |
| TCMBANKIN036914 | Morusin | 62596-29-6; HY-N0622; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one; Mulberrochromene; 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one; 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-; 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI; NSC 649220; AC1NQYV1; AIDS030379; SCHEMBL2562778; LMPK12110912; MolPort-001-741-197; CHEBI:7005; ACon1_001205; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[6,5-h]chromen-4-one; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-one; DTXSID70211641; Morusin; HMS2271K05; C10106; MEGxp0_001039; BDBM50242014; BRD-K40169295-001-01-2; cid_5281671; N2266; AIDS-030379; CHEMBL464006; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one; NSC-649220; FT-0686661; SMR000470930; NSC649220; AKOS032962066; MLS000697591; TCMDC-124149; morusin ; W1523; 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-4-pyrano[6,5-h]chromenone; ZINC5195808; CS-6885; Morusin, 3 | C25H24O6 | 420.454 | c12c(C([H])=C([H])C(C([H])([H])[H])(C([H])([H])[H])O1)c(OC(c3c([H])c([H])c(O[H])c([H])c3O[H])=C(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C4=O)c4c(O[H])c2[H] |
| TCMBANKIN036915 | morroniside | Morroniside; HMS2205G07; SMR001397097; MLS002472991; CHEMBL2136065 | C17H26O11 | 406 | [C@@]1([H])(O[H])C([H])([H])[C@@]([H])(C(C(OC([H])([H])[H])=O)=C([H])O[C@@]2([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]2([H])[C@]([H])(C([H])([H])[ H])O1 |
| TCMBANKIN036943 | arbutin | AC1OOCP4; (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol; Arbutin; arbutin ; ericolin; ZINC5239485 | C12H16O7 | 272.251 | c1([H])c(O[H])c([H])c([H])c(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])c1[H] |
| TCMBANKIN037277 | Oleanolic acid | Olean-12-en-28-oic acid, 3.beta.-hydroxy-; s2334; Caryophyllin; AIDS014809; Giganteumgenin C; SMR000445561; oleanolicacid; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; AIDS-014809; Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-; EINECS 208-081-6; NSC 114945; OLEANOLIC ACID; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; CCRIS 6493; AS-11663; SCHEMBL1699365; Virgaureagenin B; CHEBI:37659; MLS000697656; (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid; AKOS022168208; O5504_SIGMA; MolPort-016-633-333; Oleanolic Acid; Olean-12-en-28-oic acid, 3-beta-hydroxy- (8CI); Oleanic acid; 3beta-Hydroxyolean-12-en-28-oic acid; 3-beta-Hydroxyolean-12-en-28-oic acid; ST057162; Olean-12-en-28-oic acid, 3beta-hydroxy- (8CI); NSC114945; Oleanolic Acid (Caryophyllin); Astrantiagenin C; Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-; 508-02-1; (4R,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4-carboxylic acid; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; oleanolic acid | C30H48O3 | 457 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(=O)O[H])C([H])([H])C3([H])[H])[C@@]34C( [H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H] |
| TCMBANKIN038372 | verbenol | 1820-09-3; CTK6B2818; ZINC1081109; (1S)-(+)-Cis-verbenol; bicyclo(3.1.1)hept-3-en-2-ol,4,6,6-trimethyl-,(1s,2r,5s)-; Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-; EINECS 243-407-0; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, trans-(-)-; R7N6NH1O0K; (1S,2R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; (1S,5alpha)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2alpha-ol; ZB015865; UNII-5E8197JSI1 component WONIGEXYPVIKFS-DJLDLDEBSA-N; Verbenol, (S)-trans-; AC1Q59G7; UNII-R7N6NH1O0K; trans-Verbenol; (1S-(1alpha,2alpha,5alpha))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; (1alpha,2alpha,5alpha)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol; AI3-23135; 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol #; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2R,5S)-; WONIGEXYPVIKFS-DJLDLDEBSA-N; AKOS006272684; 2-Pinen-4-ol, trans-; 19890-02-9 | C10H16O | 152.233 | C([H])([H])([H])C1=C([H])[C@]([H])(O[H])[C@]2([H])C([H])([H])[C@@]1([H])C2(C([H])([H])[H])C([H])([H])[H] |
| TCMBANKIN038620 | cornusiin C | 108906-53-2; cornusiin c | C102H76O65 | 2342 | c1([H])c(C(O[C@@]2([H])[C@]([H])(OC([H])([H])c(c([H])c(O[H])c(O[H])c3O[H])c3c(c(O[H])c(O[H])c(O[H])c4[H])c4OC(=O)OC5([H])[H])[C@]5([H])O[C@]([H])(C([H])([H])\C(\O[H])=C(\O[H])/C(/O[H])=C(/Oc6c([H])c(C (OC([H])([H])[C@]7([H])[C@@]([H])(OC(=O)c(c([H])c(O[H])c(O[H])c8O[H])c89)[C@]([H])(OC(=O)c%10c([H])c(O[H])c(O[H])c(O[H])c%10[H])[C@@]([H])(OC(=O)c%11c([H])c(O[H])c(O[H])c(Oc%12c([H])c(C(OC([H])([H])[C @]%13([H])[C@]([H])([C@]([H])(OC(c%14c([H])c(O[H])c(O[H])c(O[H])c%14[H])=O)[C@@]([H])(OC(c%15c([H])c(O[H])c(O[H])c(O[H])c%15[H])=O)[C@]([H])(O[H])O%13)OC(=O)c%16c%17c(O[H])c(O[H])c(O[H])c%16[H])=O)c%1 7c(O[H])c%12O[H])c%11[H])[C@]([H])(O[H])O7)=O)c9c(O[H])c6O[H])\C(=O)C(=O)O%18)[C@@]2%18[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
| TCMBANKIN039623 | Rhodojaponin II | Rhodojaponin-II; 26116-89-2; LS-90790; BG01121196; 4,10,15,17-TETRAHYDROXY-5,5,10,15-TETRAMETHYL-7-OXAPENTACYCLO[12.2.1.0(1),(1)(1).0?,?.0?,?]HEPTADECAN-3-YL ACETATE; AC1L54IZ; Rhodojaponin II; Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 6-acetate, (2-beta,3-beta,6-beta,14R)-; 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,11,11a,12(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11-acetate, (2R,3S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)- | 410.5 g/mol | ||
| TCMBANKIN039834 | cornuside | C24H30O14 | 542.49 | COC(=O)C1=COC(C(C1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O | |
| TCMBANKIN041484 | rhodomollein xi | C22H36O8 | 428.5 g/mol | CC(=O)OC1CC23CC(C(C2O)CCC3C(C4C1(C(C(C4O)O)(C)C)O)(C)O)(C)O | |
| TCMBANKIN041510 | psi-Rhodomyrtoxin | DTXSID70331671; CHEBI:10635; AC1L9BXW; ZINC00897895; C08951; 2-methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methylbutanoyl)dibenzofuran-4-yl]butan-1-one; psi-rhodomyrtoxin; 24563-20-0; Pseudorhodomyrtoxin | C24H28O7 | 428.5 g/mol | CCC(C)C(=O)C1=C(C(=C(C2=C1OC3=C2C(=C(C(=C3C(=O)CC(C)C)O)C)O)O)C)O |
| TCMBANKIN041621 | cornusiin B | cornusiin b; D-Glucose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)-(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), stereoisomer | C48H30O30 | 1087 | c1(O[H])c(O[H])c(c2c(C(=O)OC([H])([H])[C@@]([H])(O[H])[C@@]([H])([C@@]([H])(OC(=O)c3c([H])c(O[H])c(O[H])c(O[H])c3[H])[C@]([H])(C([H])=O)OC(c4c([H])c(O[H])c(O[H])c(O[H])c4Oc5c([H])c6c(c(c(c(O[H])c(O[H] )c7[H])OC6=O)c7C(=O)O8)c8c5O[H])=O)OC9=O)c([H])c(O[H])c(O[H])c2O[H])c9c([H])c1O[H] |
| TCMBANKIN042628 | loganin | SDCCGMLS-0066747.P001; KBio2_001983; Spectrum_001503; BSPBio_003350; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; KBio2_004551; KBio1_001603; Loganin; C01433; KBioSS_001983; KBio2_007119; Spectrum2_001637; KBio3_002852; methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; SPBio_001733; Spectrum4_001914; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; Methyl (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta(c)pyran-4-carboxylate; DivK1c_006659; Spectrum5_000628; CHEBI:15771; SpecPlus_000563; (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate; 18524-94-2; EINECS 242-398-0; MEGxp0_000723; SPECTRUM1504066; ACon1_001749; Spectrum3_001875; ZINC03978792; 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester; KBioGR_002535; LMPR01020102 | C18H28O10 | 404 | [C@]12([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H])[C@]([H])(O[C@]([H])(O[C@@]3(C([H])([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=C2C(OC([H]) ([H])[H])=O |
| TCMBANKIN043084 | Rhodomollein XIII | 412.5 g/mol | |||
| TCMBANKIN043327 | rhodomollein xii | C22H34O7 | 410.5 g/mol | CC(=O)OC1CC23CC(C(C2O)CCC3C(=C)C4C1(C(C(C4O)O)(C)C)O)(C)O | |
| TCMBANKIN044655 | Rhodomollein IX | 368.5 g/mol | |||
| TCMBANKIN044671 | Rhodomollein XIV | 386.5 g/mol | |||
| TCMBANKIN046047 | Verbenalin | SCHEMBL306537; A830379; methyl (4aS,7S,7aR)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-5-oxidanylidene-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate; (4aS,7S,7aR)-7-methyl-5-oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid methyl ester | C17H24O10 | 388.366 | C([H])([H])([H])[C@]1([H])[C@]([H])([C@]([H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])OC([H])=C3C(OC([H])([H])[H])=O)[C@@]3([H])C(=O)C1([H])[H] |
| TCMBANKIN046456 | rhodomoside a | CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C | |||
| TCMBANKIN046638 | loganoside | SMR000470832; HMS2267G06; SR-01000760596-2; SR-01000760596; AC1L74CC; L0268; NSC606403; Loganoside; methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; CHEMBL2135791; NSC-606403; MLS000728659 | C17H26O10 | 390.4 g/mol | CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN046726 | Cornusiin A | CHEMBL2304261; cornusiin a | C68H50O44 | 1571.1 g/mol | C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C(C(C=O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC(C(OC(=O)C7=CC(=C(C(=C76)O)O)O)C(C(C=O)OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O |
| TCMBANKIN046972 | Rhodojaponin VI | BRN 4264514; Rhodojaponin VI; AC1L54SH; LS-73116; Grayanotoxane-2,3,5,6,10,14,16-heptol, (3-beta,6-beta,14R)- | 386.5 g/mol | ||
| TCMBANKIN049356 | eugeniin | Eugeniin; C10224; eugeniin ; MEGxp0_001162; ACon1_001321; 58970-75-5; Tellimagrandin II | C41H30O26 | 939 | c1([H])c(C(O[C@]2([H])[C@@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@]([H])(OC(=O)c(c([H])c4O[H])c([H])c(O[H])c4O[H])O[C@]([H])(C([H])([H])OC(=O)c(c([H])c(O[H])c(O[H])c5O[H])c5c(c(O[H])c(O[H]) c(O[H])c6[H])c6C(=O)O7)[C@]27[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
| TCMBANKIN049446 | kalmanol | (2ar,3r,4as,6r,6ar,8s,9as,10r,10ar)-3,7,7,10-tetramethyltetradecahydrocyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-3,4a,6,6a,8,10-hexol; 118997-92-5; AC1L4OZX; Cyclopenta[5,6]cycloocta[1,2,3-cd]pentalene-3,4a,6,6a,8,10-hexol,tetradecahydro-3,7,7,10-tetramethyl-, (2aR,3R,4aS,6R,6aR,8S,9aS,10R,10aR,10bR)-; AC1Q59O0; CTK4B1000; Cyclopenta(5,6)cycloocta(1,2,3-cd)pentalene-3,4a,6,6a,8,10-hexol, tetradecahydro-3,7,7,10-tetramethyl-, (2aR-(2aalpha,3alpha,4aalpha,6beta,6abeta,8beta,9aalpha,10alpha,10abeta,10balpha))-; Kalmanol | C20H34O6 | 370.48 | CC1(C(CC2C1(C(CC3(CC(C4C3C(C2(C)O)CC4)(C)O)O)O)O)O)C |
| TCMBANKIN049727 | Aristolone | UGVIZCBJCSXBCJ-RQIDDHSMSA-N; Aristol-9-en-8-one #; 6831-17-0; 2H-Cyclopropa(a)naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aalpha,7alpha,7aalpha,7balpha)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)-; 2H-Cyclopropa[a]naphthalen-2-one, 1,1a.beta.,4,5,6,7,7a,7b.beta.-octahydro-1,1,7.beta.,7a.beta.-tetramethyl-; aristolone; AC1O5EP0; (7R,7aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one | C15H22O | 218.33 | CC1CCCC2=CC(=O)C3C(C12C)C3(C)C |
| TCMBANKIN049957 | rhodomoside b | ||||
| TCMBANKIN050158 | rhodomollein x | C20H32O6 | 368.5 g/mol | CC1=CC23CC(C4(C(C(C(C4(C)C)O)O)C(C2CCC1C3O)(C)O)O)O | |
| TCMBANKIN058035 | 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS-(4aalpha,5beta,6alpha))-;sweroside | (4aS,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon1_000233; (4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; 14215-86-2; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; ACon0_001457; (4aS,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[5,4-c]pyran-1-one; MEGxp0_000813 | C16H22O9 | 358.34 | C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058067 | 1,2,6-tri-O-galloyl-β-D-glucose;1,2,6-trigalloylglucose;1,2,6-tri-o-galloyl-glucose;1,2,6-tri-o-galloyl-beta-d-glucopyranoside | 1,2,6-tri-o-galloyl-β-d-glucose | 470.76 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O | |
| TCMBANKIN058069 | 1,2,3,6-Tetragalloylglucose | [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 79886-50-3; 1,2,3,6-Tetra-O-galloyl-B-D-glucose; 1,2,3,6-Tgg; beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate); 1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester; AIDS-070890; 1,2,3,6-Tetra-O-galloyl-beta-D-glucose; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate; MEGxp0_001175; CHEBI:17527; AIDS070890; [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester; C04516; 1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose; ACon1_000379; 1,2,3,6-tetragalloylglucose; 1,2,3,6-tetra-O-galloyl-β-D-glucose; 1,2,3,6-tetra-O-galloyl-β-D-glucopyranose; 1,2,3,6-Tetragalloylglucose; 1,2,3,6-tetra-o-galloyl-beta-d-glucopyranoside; 1,2,3,6-tetra-o-galloyl-beta-d-glucose; 1,2,3,6-tetra-o-galloyl-β-d-glucose; 1, 2, 3, 6-tetra-o-galloyl-beta-d-glucopyranoside | C34H28O22 | 788.6 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O |
| TCMBANKIN058071 | gallic acid 3- o -(6-galloylglucoside) | Gallic acid-3-O-(6'-O-galloyl)glucoside; gallic acid-3-O-(6'-O-galloyl)-glucoside; 3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-2-tetrahydropyranyl]oxy]benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-2-yl]oxy-benzoic acid; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid; gallicacid-3-o-(6'-o-galloyl)glucoside; 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl]oxy-benzoic acid; gallic acid-3-o-(6'-o-galloyl)-glucoside | C20H20O14 | 484.36 | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3O)O)C(=O)O)O)O)O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058261 | P-hydroxy phenol;hydroquinone | KBioSS_002237; p Benzendiol; CHEBI:17594; Hydroquinone 4%, tretinoin 0.05%, fluocinolone acetonide 0.01%; C15603; Derma-Blanch; para-Dioxybenzene; Eldoquin (TN); hydroquinol; p-Dioxobenzene; EU-0100577; AIDS-000964; Dihydroxybenzene; p-Hydroquinone; HSDB 577; para-Dihydroxybenzene; 1,4-Dihydroxybenzene; EINECS 204-617-8; Hydroquinone (USP); ST5214344; Benzohydroquinone; 1,4-Dihydroxy-benzol; Phiaquin; Solaquin Forte; Hydroquinone polymer; NCGC00090880-01; Fluocinolone acetonide mixture with hydroquinone and tretinoin; D00073; AIDS-220864; 1,4-benzenediol; Melanex; Diak 5; H17902_SIAL; Eldoquin; Fluocinolone acetonide, hydroquinone, and tretinoin; 1,4-Diidrobenzene [Italian]; Spectrum2_001672; Idrochinone [Italian]; c0091; H9003_SIGMA; Dihydroquinone; InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8; KBio2_004805; NCI-C55834; Eldopaque Forte; KBio2_002237; 8027-02-9; Hydroquinone tablets; Quinol; UN2662; CCRIS 714; 940291-89-4; p-Benzenediol; NSC 9247; HE 5; Eldoquin Forte; Spectrum4_000633; BSPBio_002291; NCGC00090880-04; para-Hydroquinone; Lopac0_000577; KBioGR_001246; 123-31-9; AIDS220864; Arctuvin; Spectrum5_001430; .beta.-Quinol; Idrochinone; Hydroquinone [UN2662] [Poison]; C00530; WLN: QR DQ; ZINC00001541; .alpha.-Hydroquinone; Spectrum_001757; p-Hydroxyphenol; 1,4-Dihydroxy-benzeen; Hydroquinone/tretinoin/fluocinolone cream; SPECTRUM1504237; Benzene-1,4-diol; MLS000069815; Triluma; p-Dioxybenzene; p-Dihydroxybenzene; 1,4-Dihydroxybenzen; SpecPlus_000769; H3660_SIAL; Tecquinol; SMR000059154; Hydrochinon; 1,4-Dihydroxybenzen [Czech]; Tequinol; Tretinoin, hydroquinone, and fluocinolone acetonide; HT1014_SIGMA; AIDS000964; NCGC00015523-01; 1,4-Diidrobenzene; AI3-00072; Usaf ek-356; Hydroquinole; 1,4-Dihydroxy-benzeen [Dutch]; 57534-13-1; Tenox HQ; SPBio_001883; DivK1c_006865; Black and White Bleaching Cream; KBio1_001809; Hydroquinone / tretinoin / fluocinolone; Spectrum3_000656; HYDROQUINONE; Artra; 1,4-Dihydroxy-benzol [German]; Hydrochinon [Czech, Polish]; KBio3_001511; 1,4-Dihydrobenzoquinone; LS-187959; 4-Hydroxyphenol; NCGC00090880-03; SCHEMBL4934871; HYDROP; KBio2_007373; Lopac-H-9003; Pyrogentistic acid; Benzene, p-dihydroxy-; 1,4-Hydroxybenzene; Benzoquinol; Hidroquinone; NSC9247; Eldopaque; para-Hydroxyphenol | C6H6O2 | 110.11 g/mol | C1=CC(=CC=C1O)O |
| TCMBANKIN058348 | Benzenepropanol | phenylpropyl alcohol;benzylethyl-alcohol;NCGC00165987-01; 3-Benzenepropanol; Hydrocinnamyl alcohol; 3-Phenylpropan-1-ol; 1-Propanol, 3-phenyl-; BRN 1857542; 4-06-00-03198 (Beilstein Handbook Reference); FEMA No. 2885; gamma-Phenylpropanol; (3-Hydroxypropyl)benzene; 3-Phenylpropanol; Hydrocinnamic alcohol; .gamma.-Phenylpropanol; NSC 16942; NSC16942; 3-Phenyl-n-propanol; 1335-12-2; EINECS 215-621-4; 79000_FLUKA; EINECS 204-587-6; AI3-02067; benzene propanol; .gamma.-Phenylpropyl alcohol; 3-Phenylpropyl alcohol; CCRIS 3200; 3-Phenyl-1-propanol (natural); W288500_ALDRICH; Phenylpropyl alcohol; InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H; 3-Phenyl-1-propanol; 140856_ALDRICH; Dihydrocinnamal alcohol; ZINC01571261; 1-Propanol, phenyl-; 122-97-4; 1-Hydroxy-3-phenylpropane; 3-PHENYL-PROPAN-(1)-OL; Benzylethyl alcohol; 3-Phenylpropanol-1 | C9H12O | 136.19 | C1=CC=C(C=C1)CCCO |
| TCMBANKIN058683 | 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]propan-2-ol | EINECS 211-360-5; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol; 8024-27-9; AI3-00210; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1R-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]propan-2-ol; 639-99-6; Cyclohexanemethanol, 4-ethenyl-alpha,alpha,4-trimethyl-3-(1-methylethenyl)-, (1theta-(1alpha,3alpha,4beta))-; 2-[(1R,3S,4S)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]propan-2-ol; (1S,2S,4R)-(-)-alpha,alpha-Dimethyl-1-vinyl-o-menth-8-ene-4-methanol;Elemol;elemol; GFJIQNADMLPFOW-GUTXKFCHSA-N; [1R-[1.alpha.,3.alpha.,4.beta.]]-4-Ethenyl-.alpha.,.alpha.,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol | C15H26O | 222.37 | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O |
| TCMBANKIN058949 | eugenone | eugenon; 1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione; Eugenone; 2,4,6-Trimethoxybenzoylacetone; J167.369F; ?eugenone ; 480-27-3; AKOS027749230; 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione; AC1NSVC9; UNII-Q49DQ8CSTB; Q49DQ8CSTB;4-hydroxy-2-(2,4,5-trimethoxyphenyl)-2e-butenal | C13H16O5 | 252.26 g/mol | CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)OC |
| TCMBANKIN058961 | p-methoxybenzylacetone | SR-01000944748-1; 65161_FLUKA; OR13500; CHEMBL3184371; 4-(4-Methoxyphenyl)-2-butanone, >=98%, FCC, FG; AN-24670; p-Methoxybenzylacetone; W-108822; FT-0616645; 4-(4-Methoxyphenyl)-2-butanone; CAS-104-20-1; SBB002546; NSC405366; Tox21_113654; Rasberry ketone methyl ether; AKOS000120662; Anisylacetone; 4-(4-Methoxyphenyl)-2-butanone, analytical standard; 1-(p-Methoxyphenyl)-3-butanone; Methyl oxanone; Methoxybenzylacetone, p-; ZINC1235108; 4-(p-Methoxyphenyl)-2-butanone (natural); Jsp000420; AC1L1UCC; AI3-20279; BRN 1869592; 4-Methoxybenzylacetone; GVG47S4S5V; FEMA No. 2672; LS-2896; NCGC00255063-01; ZX-AT014618; 2-Butanone, 4-(p-methoxyphenyl)- (6CI,7CI,8CI); PCBSXBYCASFXTM-UHFFFAOYSA-N; p-Methoxyphenylbutanone; RT-002825; 4-(4-Methoxyphenyl)-2-butanone, 98%; M19600_ALDRICH; AK163318; 2-BUTANONE, 4-(4-METHOXYPHENYL)-; CC-16593; BB_NC-2171; ACMC-2098b8; VF10076; DB-003441; 2-Butanone, 4-(p-methoxyphenyl)-; KB-34461; 4-(4-methoxy-phenyl)-butan-2-one; M0756; C-24497; EINECS 203-184-2; NSC 405366; FEMA 2672; ZINC01235108; Anisylacetone, p-; I01-5625; 1-(4-Methoxyphenyl)-3-butanone; DSSTox_GSID_47166; 4-(4-Methoxyphenyl)butan-2-one; DSSTox_CID_27166; NCGC00248312-02; ST092728; ANW-15042; ZB016111; KSC496A2J; DTXSID5047166; MFCD00008791; BBV-46872299; Tox21_301165; SCHEMBL1334; DSSTox_RID_82167; BBL027730; 1-(p-Methoxyphenyl)-3-butanone-; AC1Q4CHA; STL146341; ENT 20,279; CTK3J6024; MCULE-5951016256; ANISYL ACETONE; CJ-04791; 4-(4-methoxyphenyl)-butan-2-one; Raspberry ketone methyl ether; L571; Anisyl acetone; MolPort-001-758-492; BG00601893; SR-01000944748; NSC-405366; 104-20-1; ZERO/005545; KS-00000UOD; AX8017381; 4-(p-Methoxyphenyl)-2-butanone; UNII-GVG47S4S5V; W267201_ALDRICH; BB_NC-02171; NCGC00248312-01; ST24042959 | C11H14O2 | 178.23 g/mol | CC(=O)CCC1=CC=C(C=C1)OC |
| TCMBANKIN059002 | Grayanotoxin I | ACon0_000384; 135912-EP2277880A1; MEGxp0_001761; Acetylandromedol; (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate; G-I; NP-010017; NCGC00168796-02_C22H36O7_Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R,16alpha)-; GRAYANOTOXIN I; ZINC3978484; NCGC00168796-01; Grayanotoxane-3,5,6,10,14,16-hexol 14-acetate; 4720/9/6; SCHEMBL3229044; GTX-I; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol-, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate, (2S,3aS,4aR,7R,8R,9aS,11R,11aR,12R)-; HSDB 3463; 135912-EP2292610A1; Rhodotoxine; Rhodotoxin; Asebotoxin; W4E6HC3T2B; BRN 2065643; Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetat; Andromedotoxin; UNII-W4E6HC3T2B; CHEMBL3085397; Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate, (3beta,6beta,14R)- (9CI); ACon1_000099; AKOS027326735; CHEBI:5542; AK322338; Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate; 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-; NSC 26711; (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate; C09103; 4720-09-6 | C22H36O7 | 412.5 g/mol | CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O |
| TCMBANKIN059012 | rhodomollein xi;rhodomolleinIII | rhodomollein iii | C22H36O8 | 428.5 g/mol | CC(=O)OC1CC23CC(C(C2O)CCC3C(C4C1(C(C(C4O)O)(C)C)O)(C)O)(C)O |
| TCMBANKIN059314 | 3,4-di-o-caffeoyl-5-o-(3-hydroxy-3-methyl)glutaroyl quinicacid | 3,4-dicaffeoyl-5-(3-hydroxy-3-methyl) glutaroyl quinic acid;3,4-dicaffeoyl-5-(3-hydroxy-3-methyl)glutaroyl quinic acid; (1S)-3-(3,5-dihydroxy-3-methyl-5-oxopentanoyl)oxy-4,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid; AC1NSUGR | C31H32O16 | CC(CC(=O)O)(CC(=O)OC1CC(CC(C1OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O | |
| TCMBANKIN059380 | aescin | escin _qt; CHEMBL1159567; escin; escin ia; escin iiia; aesci; saponins; Acid glycosides | C55H86O24 | 1131.3 g/mol | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C |
| TCMBANKIN059460 | grayanotoxin iii | C20H34O6 | 370.5 g/mol | CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C | |
| TCMBANKIN059461 | rhodomollein ii; grayanotoxin ii; grayanotoxine II | C20H32O5 | 352.5 g/mol | CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2=C)(C)O)O)O)O)C | |
| TCMBANKIN059715 | vitamin a | C20H30O | 286.5 g/mol | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C | |
| TCMBANKIN059947 | vitamin b1 | C63H88CoN14O14P | 1356.4 g/mol | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2] | |
| TCMBANKIN060038 | 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran | C10H16O | 152.23 g/mol | CC1=CCOC(C1)C=C(C)C | |
| TCMBANKIN060160 | quercitrin | C21H20O11 | 448.4 g/mol | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | |
| TCMBANKIN060365 | sarracenin;Dehydromorroniaglycone | C11H14O5 | 226.23 g/mol | CC1C2C3CC(O1)OC2OC=C3C(=O)OC | |
| TCMBANKIN060603 | 1,1alpha,4,5,6,7,7alpha,7beta-Octahydro-1,1,7,7alpha-tetramethyl-2H-cyclopropa (alpha)-naphthalen-2-one | C15H22O | 218.37 | CC1CCCC2=CC(=O)C3C(C12C)C3(C)C | |
| TCMBANKIN060792 | urushio iii | C21H32O2 | 316.48 | CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O | |
| TCMBANKIN060864 | N-isobutyl-decatrans-2-trans-4-dienamide | C14H25NO | 223.35 g/mol | CCCCCC=CC=CC(=O)NCC(C)C | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060973 | malic acid | C18H32O2 | 280.4 g/mol | CCCCCCCCC1=C(C1)CCCCCCC(=O)O | |
| TCMBANKIN061443 | swertiajaponin | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-; Swertiajaponin; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; C10187; 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; 6980-25-2;LMPK12111030; 6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone; SCHEMBL4783740; Swertiajaponin; Leucanthoside;Leucanthoside;5,7,4'- trihydroxy- 6-methoxyflavone | C22H22O11 | 462.4 g/mol | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)C4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN061508 | methyleugenol | 29T9VA6R7M; 1,4-Eugenol methyl ether; DSSTox_RID_77851; FEMA No. 2475; MLS001333206; ST24043178; ST50330558; Benzene,2-dimethoxy-4-(2-propenyl)-; FR-0577; NCGC00254085-01; CTK3J0502; HMS2269M09; HSDB 4504; 3,4-Dimethoxyallyl benzene; NSC-8900; Tox21_202347; ENT 21040; SBB007916; NCGC00091474-04; C10454; o-Methyl eugenol ether; NSC209528; ACMC-209rk6; MolPort-000-154-691; Eugenyl methyl ether; AS-14807; Tox21_300071; STK801819; Benzene, 4-allyl-1,2-dimethoxy-; CAS-93-15-2; NSC 209528; AK162493; FEMA Number 2475; Methyl eugenol, analytical standard; NSC8900; TRA0076734; Methyleugenol; LS-29885; AC1L1O2J; BRN 1911284; MLS001065600; 2-Methoxy-4-propenylphenol methyl ether; 3-06-00-04995 (Beilstein Handbook Reference); cis-Methyl isoeugenol; W247502_ALDRICH; RTR-029187; 1-(3, 4-Dimethoxyphenyl)-2-propene; DSSTox_CID_5607; 10005-561a; methyl eugenol; 3-(3,4-dimethoxyphenyl)-1-propene; O-Methyl eugenol; NSC-209528; CHEMBL108861; 4-Allylveratrol; SMR000112378; Methyl eugenol; W-100251; 1-(3,4-Dimethoxyphenyl)-2-propene; BG00601894; 1,2-dimethoxy-4-prop-2-enylbenzene; ZINC388674; 4-Allylveratrole; BB_NC-0711; 4-06-00-06337 (Beilstein Handbook Reference); CCRIS 746; Allyl-1,2-dimethoxybenzene; Allylveratrol; ZINC00388674; Methy l eugenyl ether; Dimethoxy-4-(2-propenyl)benzene; DSSTox_GSID_25607; EC 202-223-0; 1, 2-Dimethoxy-4-(2-propenyl)benzene; Methyl eugenol ether; M664; Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-; BDBM50379791; 46110_FLUKA; Caswell No. 579AB; 1,2-Dimethoxy-4-allyl benzene; AIDS-224738; FT-0626371; METHYLEUGENOL; 1,3,4-Eugenol methyl ether; DTXSID5025607; AIDS224738; Eugenol methyl ether; Methyleugenol (4-Allyl-1,2-dimethoxybenzene); WLN: 1U2R CO1 DO1; Benzene, 1,2-dimethoxy-4-(2-propenyl)-; C11H14O2; NCGC00259896-01; 6380-24-1; KS-000001JX; 93-15-2; MFCD00008652; BBL027720; 284424_ALDRICH; ZYEMGPIYFIJGTP-UHFFFAOYSA-N; 1,2-dimethoxy-4-(prop-2-en-1-yl)benzene; Benzene, 4-(2-propenyl)-1,2-dimethoxy; BRN 1910871; TR-029187; Methyl Eugenol Natural; DB-002806; 1,2-dimethoxy-4-prop-2-enyl-benzene; 4-Allyl-1,2-dimethoxybenzene; EINECS 202-223-0; KB-177539; 1,2-Dimethoxy-4-allylbenzene; SCHEMBL10108224; AN-24255; LS-15; Veratrole methyl ether; AC1Q46TK; NCGC00091474-01; AC1Q4FDV; BBV-39688198; 1,2-Dimethoxy-4-(2-propen-1-yl)benzene; NCGC00091474-02; 4-Allyl-1,2-dimethoxybenzene, 99%; 3,4-Dimethoxyallylbenzene; MLS001333205; BB_NC-00711; ANW-39988; 1,2-Dimethoxy-4-(2-propenyl)benzene; methyl eugenol ; 4-Allyl-1,2-dimethyoxybenzene; EPA Pesticide Chemical Code 203900; AKOS015838877; FEMA 2475; cis-4-Propenyl veratrole; Methyl eugenol, >=98%, FCC; CHEBI:4918; 4-allyl-1,2-dimethoxy-benzene; AX8129901; Eugenol methyl; UNII-29T9VA6R7M; Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-; Eugenol methylether; SCHEMBL113794; NCGC00091474-03; AI3-21040; 1-Allyl-3,4-dimethoxybenzene; 4-Allyl-1, 2-dimethoxybenzene; Methyl eugenyl ether; O-Methyleugenol;eugenyl methylether;Benzene, 1,2-dimethoxy-4-(2-propenyl)-;eugenol methyl ether;1,2-dimethoxy-4-(2-propenyl)benzene;Methyleugenol-;SCHEMBL219169;1,2-Dimethoxy-4-(2-propenyl)benzene | C11H14O2 | 178.23g/mol | COC1=C(C=C(C=C1)CC=C)OC |
| TCMBANKIN061590 | isorhamnetin | 3'-O-Methylquercetin; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one; Isorhamnetin; BRN 0044723; Flavone, 3,3',5,7-tetrahydroxy-4'-methoxy-; C10084; Quercetin 3'-methyl ether; 3'-Methoxyquercetin; CCRIS 3791; 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI); C.I. 75680; 4'-Methoxy-3,3',5,7-tetrahydroxy-flavone; ST5309356; Quercetin, 4'-methyl ether; Flavone, 3'-methoxy-3,4',5,7-tetrahydroxy-; AIDS-003060; 480-19-3; ACon1_000275; AIDS003060; 4'-O-Methylquercetin; 3-Methylquercetin; Oprea1_145406; ZINC00517261; 4'-Methoxyquercetin; NCGC00163572-01; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one; BRN 0324993; 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-hydroxyphenyl)-3,5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)- (9CI); EINECS 210-050-7; 3'-Methoxy-3,4',5,7-tetrahydroxyflavone; MEGxp0_001863; NCGC00163572-02; EINECS 207-545-5; Isorhamnetol; 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; 17794_FLUKA; FLAVONE, 4'-METHOXY-3,3',5,7-TETRAHYDROXY-; 4'-Methylquercetin; 5-18-05-00496 (Beilstein Handbook Reference); 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-; 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-chromenone; 3-Methylquercetine; FLAVONE, 3,4',5,7-TETRAHYDROXY-3'-METHOXY-; 3-methylquercetin; quercetin-3'-methyl ether | C16H12O7 | 316.26 g/mol | COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| 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 |
| TCMBANKIN061713 | gamma-Asarone | 1-allyl-2,4,5-trimethoxybenzene; gamma-asarone ; 1,2,4-trimethoxy-5-prop-2-enylbenzene; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; 2,4,5-Trimethoxyallylbenzene; 1-Allyl-2,4,5-trimethoxy-benzene; 1,2,4-trimethoxy-5-prop-2-enyl-benzene; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; 5353-15-1; benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1-allyl-2,4,5-trimethoxy-benzene; euasarone; sekishone; 2,4,5-Trimethoxy-1-propenylbenzene; Asarone; LS-32252; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-; EINECS 207-788-7; 1,2,4-trimethoxy-5-propenyl-benzene; AB0013259; asarone, (E)-isomer; Azaron; Etherophenol; trans-Isoasaron; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-; C12H16O3; 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene; 1,2,4-Trimethoxy-5-propenyl-(E)-Benzene; HY-N0700; 883A989; alpha-Asarone; Asaron; 1-((1E)prop-1-enyl)-2,4,5-trimethoxybenzene; trans-1-Propenyl-2,4,5-trimethoxybenzene; cis-Isoelemicin; Benzene, 1,2,4-trimethoxy-5-propenyl-; H784; asarone, (Z)-isomer; benzene, 1,2,4-trimethoxy-5-[(1E)-1-propenyl]-; Benzene,2,4-trimethoxy-5-(1-propenyl)-; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)- (9CI); MolPort-003-925-787; Asarabacca camphor; TRANS-ASARONE; 1,2,4-trimethoxy-5-[(1E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-(1-propen-1-yl)-; AB02604; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene;trans-1-Propenyl-2,4,5-trimethoxybenzene; alpha-Asarone, analytical standard; BDBM50240783; 1,2,4-Trimethoxy-5-(1-propenyl)-(E)-Benzene; HSDB 3464; BBL028099; DQY9PNE5FK; MEGxp0_001333; Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-; BG00604371; Q-100365; ACM494406; 1,2,4-Trimethoxy-5-(1-propenyl)benzene; Isoasaron (6CI); BB_NC-2561; Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-; (E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE; trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene; alpha-Azaron; SCHEMBL528746; (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene; RKFAZBXYICVSKP-AATRIKPKSA-N; I01-0274; 494-40-6; 1,2,4-trimethoxy-5-trans-propenyl-benzene; STL146379; (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene; 1,2,4-Trimethoxy-5-propenyl-trans-Benzene; ALPHA-ASARONUM; 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene; Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-; (E)-2,4,5-Trimethoxypropenylbenzene; BRN 1910606; AI3-36897; C17846; MCULE-2232214693; Asarum camphor; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5; AS-13278; AI3-36725; TR-012662; CHEBI:78309; SC-19253; AKOS001590148; CHEMBL333306; trans-2,4,5-Trimethoxypropenylbenzene; BRN 1910605; 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene; alpha-Asarone, 98%; KB-84477; NSC-107257; 2,4,5-TRIMETHOXYPROPENYL BENZENE; EINECS 220-743-6; A819627; (E)-Asarone; Trans-(alpha )-asarone; NSC107257; 4-06-00-07476 (Beilstein Handbook Reference); DTXSID20197784; trans-Isoasarone; alpha-Asaron; 2,4,5-Trimethoxypropen-1-ylbenzene; EINECS 226-096-6; ALPHA-ASARONE (PHENOL DERIVATIVE); SC-80472; Benzene, 1,2,4-trimethoxy-5-propenyl- (8CI); 2883-98-9; UNII-DQY9PNE5FK; MFCD00064457; AB3000031; ACN-043314; CS-5520; 2,4,5-Trimethoxyphenyl-2-propene; M-2120; ZINC56550; Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-; 17-(1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; compound with 1,2,4-trimethoxy-5-propenyl-benzene (Alphaasarone and cholesterol); AC1LCSZA; 2,5-Trimethoxy-1-propenylbenzene; CCRIS 1592; A-ASARONE; 1,2,4-Trimethoxy-5-propenylbenzene; ASARONE, A-; Benzene,2,4-trimethoxy-5-propenyl-; LS-32253; ST50319782; NSC 107257; CCRIS 1596; 1-allyl-2,4,5-trimethoxybenzene; AC1LCSUD; Sekishon; 1,2,4-Trimethoxy-5-(2-propenyl)benzene; AUNAUZZQBAIQFJ-UHFFFAOYSA-N; gamma-Asarone; Benzene, 1-allyl-2,4,5-trimethoxy-; 5353-15-1; Sekishone; CTK4J1291; 2,4,5-Trimethoxyallylbenzene; 2-Allyl-1,4,5-trimethoxybenzene; g-Asarone; 1,2,4-TRIMETHOXY-5-ALLYLBENZENE; 1,2,4-Trimethoxy-5-(2-propenyl)-Benzene; C17821; 2,4,5-Trimethoxy-1-allylbenzene; CHEBI:81353; SCHEMBL942820; Benzene, 1,2,4-trimethoxy-5-(2-propen-1-yl)-; DTXSID10201743; Euasarone; InChI=1/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H; isoasarone; (2,4,5-trimethoxyphenyl)prop-1-ene; Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-; 1,2,4-trimethoxy-5-(prop-2-en-1-yl)benzene; 1,2,4-trimethoxy-5-prop-2-enylbenzene; .gamma.-Asarone | C12H16O3 | 208.25 g/mol | COC1=CC(=C(C=C1CC=C)OC)OC |
| TCMBANKIN061786 | elemicine | el-emicine，Elemicine; elemicin ; Elemicin; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; AX8052814; CJ-04512; C10451; V6154; KS-00000EX2; TC-307841; 4-allyl-1,2,6-trimethoxybenzene; CHEBI:4771; KB-85683; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene; NSC16704; K-9190; BRN 1912664; TRA0018883; 5-(Prop-2-en-1-yl)-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-allylbenzene (elemicin); SCHEMBL68542; EINECS 207-649-0; CTK4J0963; 5'-metoxy eugenol; ZB015169; ST24044297; AKOS015896443; CCRIS 6783; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-; 10005-761a; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene; Benzene,1,2,3-trimethoxy-5-(2-propen-1-yl)-; A827594; 1,2,3-Trimethoxy-5-[2-propenyl]-benzene; I06-1928; 1,2,3-Trimethoxy-5-(2-propenyl)benzene; DTXSID60197586; ZINC899845; 3,4,5-Trimethoxyallylbenzene; MFCD01656688; BPLQKQKXWHCZSS-UHFFFAOYSA-N; AI3-20815; AN-843; CHEMBL458690; 487A116; OR40002; 487-11-6; 5-allyl-1,2,3-trimethoxybenzene; AK116942; ZX-AT003475; Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- (9CI); J-520432; NSC-16704; MolPort-003-824-417; 3,4, 5-Trimethoxyallylbenzene; RP26424; LS-29056; 5-allyl-1,2,3-trimethoxy-benzene; HSZ191AKAN; AC1L1USQ; 4-allyl-1,2,6-trimethoxy benzene; 1,2,3-Trimethoxy-5-(2-propenyl)benzene, 9CI; NSC 16704; AJ-24292; Benzene,2,3-trimethoxy-5-(2-propenyl)-; SY018605; 1,2,3-trimethoxy-5-prop-2-enyl-benzene; 1,2,3-trimethoxy-5-prop-2-enylbenzene; FT-0652063; ST51053296; Benzene, 5-allyl-1,2,3-trimethoxy-; BENZENE, 5-ALLYL-1,2,3-TRIMETHOXY-; DB-081347; 3,5-Trimethoxyallylbenzene; PS-4970; UNII-HSZ191AKAN; 3-(3,4,5-Trimethoxyphenyl)-1-propene; 4-06-00-07478 (Beilstein Handbook Reference) | C12H16O3 | 208.25 g/mol | COC1=CC(=CC(=C1OC)OC)CC=C |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
植物对应的疾病
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植物对应的靶点
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