Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE005727 |
ID: | TCMBANKHE005727 |
药用植物名: | 南鹤虱 |
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 |
|---|
| TCMBANKIN000028 | coumarin | KBio3_002764; HSDB 1623; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 | C9H6O2 | 146.14 | C1=CC=C2C(=C1)C=CC(=O)O2 |
| TCMBANKIN000095 | oxymatrine | Ammothamnine; STOCK1N-33797 | C15H24N2O2 | 264.36 | C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-] |
| TCMBANKIN001284 | myristoleicacid | LMFA01030250; 9E-Tetradecenoate; myristoleic acid; Myristoleinsaure; trans-9-Tetradecenoate; (E)-tetradec-9-enoic acid; 0WAJ36526B; ZINC1531062; (9E)-9-Tetradecenoic acid; (9E)-tetradecenoic acid; trans-9-Tetradecenoic acid; 9E-tetradecenoic acid; SCHEMBL156569; SCHEMBL109271; (9E)-9-Tetradecenoic acid #; YWWVWXASSLXJHU-AATRIKPKSA-N; E-9-Tetradecenoic acid; C14:1n-5; (9E)-tetradec-9-enoic acid; AC1NSMNY; 50286-30-1; UNII-0WAJ36526B; (E)-9-Tetradecenoic acid; myristelaidate; CHEBI:131381; MolPort-003-958-761; Myristelaidic acid; AKOS032954684; (E)-tetradec-9-enoate; 9-Tetradecenoic acid, (9E)- | C14H26O2 | 226.35 g/mol | CCCCC=CCCCCCCCC(=O)O |
| TCMBANKIN001459 | pfaffic acid | CHEBI:8036; C08965; AC1L9BYQ; DTXSID90331678; Pfaffic acid; 86432-14-6; LMPR0106250001 | C29H44O3 | 440.7 g/mol | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC5C6(CCC5(C4C6)C(=O)O)C)C)C)C |
| TCMBANKIN001558 | Abrisapogenol E | abrisapogenol e | C30H50O4 | 474.7 g/mol | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)(C)CO)O |
| TCMBANKIN005526 | Soyasaponin A3 | soyasaponin a3 | C48H78O19 | 959.12 | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
| TCMBANKIN006175 | carpaine | CHEBI:3433; 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione; (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione; VLR223H4QP; AC1L9D45; EINECS 222-414-2; SCHEMBL1443089; (+)-Carpaine; UNII-VLR223H4QP; 3463-92-1; ZINC100071528; C10135; Carpaine | C28H50N2O4 | 478.7 g/mol | CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C |
| TCMBANKIN006488 | maackian | ||||
| TCMBANKIN007637 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN008647 | delta-Carotene | 472-92-4; (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-cyclohexene; (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene; delta-carotene; C08586; LMPR01070266 | C40H56 | 536.87 | CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)(C)C |
| TCMBANKIN008894 | decanoylacetaldehyde | CHEBI:80815; SCHEMBL1144900; LS-63406; AKOS028110807; C16947; decanoyl acetaldehyde; DTXSID20205050; Dodecanal,3-oxo-; Decanoyl acetaldehyde; 3-Oxododecanal; Houttuynin; CHEMBL443876; Houttuynine; AC1Q6QHJ; CTK1H2308; BRN 1771322; 4-01-00-03730 (Beilstein Handbook Reference); 56505-80-7; AC1L3UZI; Dodecanal, 3-oxo- | C14H26O2 | 226.35 g/mol | CCCCCCCCCCCC(=O)CC=O |
| TCMBANKIN010079 | beta-carotene-5,6-epoxide | β-carotene-5,6-epoxide | C40H56O | 552.9 g/mol | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CCCC2(O3)C)(C)C)C)C |
| TCMBANKIN012573 | Pterocarpol | pterocarpol | C15H26O2 | 238.37 g/mol | CC12CCC(CC1C(=C)CC(C2)O)C(C)(C)O |
| TCMBANKIN012715 | rotundic acid | Rutundic acid; MolPort-028-754-175; BDBM50391059; CHEBI:70684; Pedunculoside_qt; DTXSID80173963; rotundicacid; BG01176242; (3beta,4alpha)-3,19,23-Trihydroxyurs-12-en-28-oic acid; SCHEMBL1045049; Rotundic acid; Ilexolic acid (Rotundic acid); AKOS032949054; Y0176; (1R,2R,4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-1,10-DIHYDROXY-9-(HYDROXYMETHYL)-1,2,6A,6B,9,12A-HEXAMETHYL-2,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID; CHEMBL1271052; Urs-12-en-28-oic acid, 3,19,23-trihydroxy-, (3beta,4alpha)-; 20137-37-5; ZINC64527839 | C30H48O5 | 488.7 g/mol | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)O |
| TCMBANKIN013154 | Sophoricoside | 5,7-dihydroxy-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone; 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one; Genistein 4'-O-glucoside; 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone; NCGC00142616-01; 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one; LMPK12050168; ZINC04136964; sophoricoside; SBB015797; SCHEMBL1156062 | C21H20O10 | 432.38 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
| TCMBANKIN013429 | cyclohexanone pedunculosyl-3 | ||||
| TCMBANKIN013906 | coumarinic acid | cis-2-coumaric acid; (2Z)-3-(2-hydroxyphenyl)prop-2-enoate; coumarinicacid; (2Z)-3-(2-hydroxyphenyl)acrylate; (2Z)-3-(2-hydroxyphenyl)acrylic acid; cis-2-Hydroxycinnamate; coumarinate; cis-2-hydroxycinnamic acid; CHEBI:47921; cis-2-coumarate | C9H7O3- | 163.15 g/mol | C1=CC=C(C(=C1)C=CC(=O)O)[O-] |
| TCMBANKIN013931 | Fallacinol | NP-012894; 569-05-1; 1,8-dihydroxy-3-methoxy-6-methylol-9,10-anthraquinone; fallacinol; NCGC00384926-01!1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione; 1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione; AC1MJ0ZD; 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-; Phallacinol; 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione; SCHEMBL16225969; Chrysazin, 3-(hydroxymethyl)-6-methoxy-; Teloschistin; DTXSID80205430; 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-anthracene-9,10-dione; Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy- | C16H12O6 | 300.26 | COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO |
| TCMBANKIN014003 | zeta-carotene | LS-187070; xi-Carotene; CHEBI:28068; AC1NQXL2; BIWLELKAFXRPDE-WTXAYMOSSA-N; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene; C05430; (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene; all-trans-zeta-carotene; zeta-Carotene; Zeta-Carotin; 7,8,7',8'-tetrahydro-psi,psi-carotene; LS-187678; LMPR01070256; 13587-06-9; CHEBI:27362 | C40H60 | 540.9 g/mol | CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C |
| TCMBANKIN015172 | Matsukaze lactone | MLS002472930; 7-methoxy-8-(7-methoxy-2-oxo-6-chromenyl)-2-chromenone; CHEMBL1877565; matsukazelactone; 7-methoxy-8-(7-methoxy-2-oxochromen-6-yl)chromen-2-one; 7-methoxy-8-(7-methoxy-2-oxo-chromen-6-yl)chromen-2-one; matsukaze lactone; SMR001397040; 8-(2-keto-7-methoxy-chromen-6-yl)-7-methoxy-coumarin; AC1NSXWA; HMS2268O14 | C20H14O6 | 350.3 g/mol | COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC |
| TCMBANKIN017180 | tiglic acid | NSC8999; trans-2,3-Dimethylacrylic acid; ST5307929; Tiglinic acid; alpha-Methylcrotonic acid, (E)-; trans-2-Methylcrotonic acid; EINECS 236-167-3; 2-methyl-2E-butenoic acid; 2-Butenoic acid, 2-methyl-, (E)-; alpha,beta-dimethyl acrylic acid; (E)-2-methylbut-2-enoate; 4-02-00-01552 (Beilstein Handbook Reference); A839954; alpha-methylcrotonic acid; EINECS 201-295-0; CHEBI:9592; Tiglinsaeure; C08279; (E)-2-Methylcrotonic acid; 2-Methyl-2-butenoic acid; 2-Butenoic acid, 2-methyl-; BRN 1236500; tiglicacid; trans-.alpha.,.beta.-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; NSC44235; 13201-46-2; (E)-2,3-Dimethylacrylic acid; 2-Methyl-2-butenoic acid, (E)-; FEMA No. 3599; (E)-2-Methylbut-2-enoic acid; Crotonic acid, 2-methyl-, (E)-; Cevadic acid; (2E)-2-methylbut-2-enoic acid; 89450_FLUKA; T35203_ALDRICH; 2-methylbut-2-enoic acid; 2,3-Dimethylacrylic acid, (E)-; AI3-36118; NSC 44235; 2-Butenoic acid, 2-methyl-, (E)- (9CI); (E)-2-methyl-2-Butenoate; 2-Butenoic acid, 2-methyl-, (2E)-; Tiglic acid; LMFA01020030; AC1ODZB2; trans-alpha,beta-Dimethylacrylic acid; W359904_ALDRICH; Crotonic acid, 2-methyl-; 80-59-1; trans-2-Methyl-2-butenoic acid; CHEBI:36432 | C5H8O2 | 100.12 g/mol | CC=C(C)C(=O)O |
| TCMBANKIN017328 | sophoranol N-oxide | sophoranol n -oxide; sophoranol n-oxide | C15H24N2O3 | 280.36 | |
| TCMBANKIN017331 | sophoraflavone a | sophoraflavone A; LMPK12110023 | C27H30O13 | 562.5 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=CC4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
| TCMBANKIN020338 | Soyasaponin A4 | soyasaponin a4; AC1O3E1D | C58H94O28 | 1239.35 | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1O)OC6C(C(C(CO6)O)OC7C(C(C(CO7)O)O)O)O)C)C)C)(C)CO)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)C |
| TCMBANKIN020546 | Abrisapogenol D | abrisapogenol d | C30H50O3 | 458.72 | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)CO)C)C)C)C |
| TCMBANKIN021462 | Abrisapogenol C | abrisapogenol c; butane; ethane; methane; tetrahydrate; AC1NT0I6 | C30H50O4 | 474.72 | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(C(C5O)O)(C)CO)C)C)C)C |
| TCMBANKIN022321 | (1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene | C10H16 | 136.23 | ||
| TCMBANKIN022328 | anagyrine | FYU1U980Q9; 5-24-03-00410 (Beilstein Handbook Reference); (1R,9R,10R)-7,15-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)?,(1)?]HEPTADECA-2,4-DIEN-6-ONE; BRN 0086776; ANAGYRINE; (-)-Anagyrine; UNII-FYU1U980Q9; 7,7a,8,9,10,11,13,14-Octahydro-7,14-memethano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one; 3,4,5,6-Tetradehydrospartein-2-one; (7alpha)-11,12,13,14-tetradehydrospartein-15-one; (-)-anagyrine; CHEMBL509692; Rhombinine; Anagyrine; AC1LE9O5; NSC76019; ZINC900282; Monolupine; 486-89-5 | C15H20N2O | 244.33 g/mol | C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O |
| TCMBANKIN022429 | (z)-6,7-epoxy-6,7-dihydroligustilide | SCHEMBL14032224; 6,7-Epoxyligustilide; (4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one; AC1NSV5T; Z-6,7-Epoxyligustilide; 106533-40-8 | C12H14O3 | 206.24 g/mol | CCCC=C1C2=C(C3C(O3)CC2)C(=O)O1 |
| TCMBANKIN025174 | (6R)-6-pentyloxan-2-one | (6R)-6-pentyltetrahydropyran-2-one; ZINC02031351; (6R)-6-amyltetrahydropyran-2-one; (6R)-6-pentyl-2-tetrahydropyranone | C10H18O2 | 170.25 | |
| TCMBANKIN026482 | Docosyl caffeate | docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; ST24046665; DOCOSYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE; MolPort-023-298-972; ZINC73220104; AKOS022184902; 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, docosyl ester, (2E)-; 3,4-Dihydroxycinnamic acid docosyl ester; Docosyl caffeate, analytical standard; W2091; docosyl caffeate; 28593-92-2; 3,4-Dihydroxybenzeneacrylic acid docosyl ester; CHEMBL1933863; SCHEMBL883452; 9375AF; AK104300; Docosyl 3-(3,4-dihydroxyphenyl)acrylate; Caffeic acid docosyl ester; 50432-89-8; AC1NSUY6 | C31H52O4 | 488.74 | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)O |
| TCMBANKIN027025 | daucic acid | (-)-Daucic acid; 2,6-Anhydro-3-deoxy-D-xylo-hept-2-enaric acid, 9CI; AC1NSU6S; Daucic acid; 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid; 2,6-Anhydro-3-deoxy-D-lyxo-hept-2-enaric acid; daucicacid | C7H8O7 | 204.13 g/mol | C1=C(OC(C(C1O)O)C(=O)O)C(=O)O |
| TCMBANKIN027479 | bayin | 8-beta-D-Glucopyranosyl-4',7-dihydroxyflavone; LMPK12110022; Bayin; SCHEMBL5352978 | C21H20O9 | 416.4 g/mol | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3)O)C4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN027512 | matrine | .alpha.-Matrine; Matrene, (+)-; STOCK1N-36535; Matrine; BRN 0085851; (+)-Matrine; ZINC4196454; 519-02-8; Matridin-15-one (9CI); C10774; NSC146051; 5-24-02-00301 (Beilstein Handbook Reference); NSC 146051 | C15H24N2O | 248.36 | C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1 |
| TCMBANKIN027838 | Lupeol acetate | lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 | C32H52O2 | 468.75 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
| TCMBANKIN028379 | LUT | (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; 95507_FLUKA; (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL, LUTEIN; alpha-Carotene-3,3'-diol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; X6250_SIGMA; beta, epsilon-carotene; beta, epsilon-carotene-3,3′-diol | C40H56O2 | 568.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
| TCMBANKIN029350 | Sophoramine | MMCQRJPAMIHLQX-UHFFFAOYSA-N; Matridin-15-one, 11,12,13,14-tetradehydro-, (6.beta.)-; 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, (7aS,13bS,13cR)-; C10782; 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one, 2,3,6,7,7a,8,13b,13c-octahydro-, [7aS-(7a.alpha.,13b.alpha.,13c.beta.)]-; sophoramine; 11,12,13,14-Tetradehydromatridin-15-one-, (6.beta.)-; AC1LDGYG; 6-Isosophoramine; STOCK1N-57738; Isosophoramine; Matridin-15-one, 11,12,13,14-tetradehydro-; 6882-66-2 | C15H20N2O | 244.33 | C1CC2CN3C(=O)C=CC=C3C4C2N(C1)CCC4 |
| TCMBANKIN030208 | daidzein 4',7-diglucoside | C27H30O14 | 578.5 g/mol | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O | |
| TCMBANKIN030601 | pterorepine | ||||
| TCMBANKIN032118 | lycophyll | AC1O3DLI; (2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol | C40H56O2 | 568.9 g/mol | CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)CCC=C(C)CO |
| TCMBANKIN032671 | daucol | 1H-3a,6-Epoxyazulen-7-ol, 2,3,4,5,6,7.alpha.,8,8a-octahydro-3.alpha.-isopropyl-6.beta.,8a.alpha.-dimethyl-, (-)-; VLIUMVVQGMLOJG-NLXYCFSDSA-N; cis-5.beta.,8.beta.-Epoxydaucan-9.alpha.-ol; 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3.alpha.,3a.alpha.,6.alpha.,7.beta.,8a.alpha.)]- | C15H26O2 | 238.37 g/mol | CC(C)C1CCC2(C13CCC(O3)(C(C2)O)C)C |
| TCMBANKIN033849 | peucedanin | HMS2675C08; Oprea1_837278; SMR000102964; AB00053108-02; NCGC00095695-02; BRD-K72034655-001-02-1; MLS001049116; 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one; 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone; BSPBio_003373; KBio2_007162; 5-19-06-00042 (Beilstein Handbook Reference); SCHEMBL2249089; CHEBI:8034; Spectrum4_001666; Spectrum5_000571; KBio2_004594; MolPort-000-882-022; 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone; MCULE-2664497001; 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one; SPBio_000658; AC1L1RCV; 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; CHEMBL1410943; AKOS000278122; 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin; CCG-40070; KBioGR_002191; Oreoselone methyl ether; 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one; KBioSS_002026; SPECTRUM1504168; KBio1_001992; NCGC00095695-01; ST50909203; 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one; STK396320; C09283; MEGxp0_001552; 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-; Spectrum3_001647; 7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-; Spectrum_001546; LS-70731; Peutsedin; SpecPlus_000952; Bio-0240; YQBNJPACAUPNLV-UHFFFAOYSA-; CTK4B8448; N021633LOB; UNII-N021633LOB; 133-26-6; Peucedanin; Spectrum2_000729; 3-Methoxy-2-(1-methylethyl)-7 H -furo[3,2- g ][1]benzopyran-7-one; 2-Isopropyl-3-methoxy-7 H -furo[3,2- g ][1]benzopyran-7-one; SDCCGMLS-0066802.P001; KBio3_002593; DTXSID10157897; DivK1c_007048; InChI=1/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3; NCGC00095695-03!3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one; KBio2_002026; ZINC1912; 6-methoxy-7-(methylethyl)furano[3,2-g]chromen-2-one; Oprea1_190644; BRN 0234473 | C15H14O4 | 258.27 g/mol | CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC |
| TCMBANKIN034275 | daucene | 6,8a-dimethyl-3-propan-2-yl-2,4,5,8-tetrahydro-1H-azulene; Azulene, 2,3,3a,4,7,8-hexahydro-3a,6-dimethyl-1-(1-methylethyl)-; 1-ISOPROPYL-3A,6-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-AZULENE; MGMBZNCFUFRSSP-UHFFFAOYSA-N; 16661-00-0; AC1L42YA; 3-Isopropyl-6,8a-dimethyl-1,2,4,5,8,8a-hexahydroazulene; Dauca-4,8-diene (Daucene); Azulene, 1,2,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-; 6,8a-dimethyl-3-(propan-2-yl)-1,2,4,5,8,8a-hexahydroazulene; Azulene, 1,2,4,5,8,8a-hexahydro-3-isopropyl-6,8a-dimethyl-; Daucene | C40H56 | 536.87 | CC1=CCC2(CCC(=C2CC1)C(C)C)C |
| TCMBANKIN035044 | sophoradochromene | LMPK12120081; 23057-58-1; AC1NT0H0; Sophoradochromene; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one; (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)-6-chromenyl]prop-2-en-1-one | C30H34O4 | 458.6 g/mol | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C=CC(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C |
| TCMBANKIN036832 | daidzein | 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.238 | c1([H])c(C(=O)C(c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])O3)c3c([H])c(O[H])c1[H] |
| TCMBANKIN036840 | protocatechuic acid | 3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 | C18H14O8 | 358.299 | c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
| TCMBANKIN037504 | β-Bisabolene | (1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)- | 204.35 g/mol | ||
| TCMBANKIN037746 | gamma-Dodecalactone | (r)-4-dodecanolide; UNII-YX9N4581LU component WGPCZPLRVAWXPW-LLVKDONJSA-N; UNII-44DKB0M2KO; gamma-dodecalactone; R-(+)-gamma-Dodecalactone; ZINC43482214; 44DKB0M2KO; SCHEMBL7552044 | C4H6O2 | 86.09 | CCCCCCCCC1CCC(=O)O1 |
| TCMBANKIN037813 | genistein | BSPBio_002375; Lopac-G-6649; NCGC00015479-02; K00046; Genisteol; Spectrum_000320; NCGC00025005-01; Sophoricol; KBio2_003368; 4,6,7-Trihydroxyisoflavone; SMR000112580; SIPI 807-1; KBio2_007700; 5,7,4'-Trihydroxyisoflavone; Spectrum4_001543; GEN; NCGC00025005-04; Lopac0_000520; AIDS097204; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; Spectrum5_000106; Bio1_001423; NCGC00025005-05; NSC 36586; NCGC00025005-02; 4′,5,7-Trihydroxyisoflavone; Differenol A; NPI 031L; ACon1_001065; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-; Bio1_000934; NCI60_003369; UPCMLD-DP096:001; NCGC00015479-01; genistein ; Spectrum2_000638; KBio2_002564; nchembio.76-comp6; G6776_SIGMA; DivK1c_006401; 5-18-04-00594 (Beilstein Handbook Reference); cMAP_000086; EU-0100520; 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; Tocris-1110; CHEBI:74224; KBioGR_002006; Bio1_000445; BRN 0263823; 446-72-0; MEGxp0_000568; Oprea1_437815; SMP1_000133; KBio1_001345; 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE; Lactoferrin-genistein; SPECTRUM210296; 4',5, 7-trihydroxyisoflavone; NSC36586; EINECS 207-174-9; CHEBI:28088; Oprea1_224620; AIDS-097204; 4',5,7-Trihydroxyisoflavone; C06563; KBio3_003042; SPBio_000636; genistein(1-); KBio2_000800; 4′,5,7-Trihydroxyisoflavone; G6649_SIGMA; Prunetol; KBioGR_002564; C.I. 75610; KBioSS_000800; Genistein; TNP00151; CCRIS 7675; MolMap_000022; KBio2_005132; KBio3_001595; ZINC00041692; AIDS016499; ST056352; SpecPlus_000305; Isoflavone, 4',5,7-trihydroxy-; 4',5,7-Trihydroxy isoflavone; STO514; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one; KBioSS_002573; KBio2_005936; Genistein; 4',5,7-Trihydroxyisoflavone; Spectrum3_000678; PTI G4660; AIDS-016499; nchembio.2007.28-comp32; Genisterin; NCGC00025005-07; MLS000738127 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O |
| TCMBANKIN037869 | Genistein 8-C-glucoside | 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone; C10420; SCHEMBL4743882; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one; 66026-80-0; LMPK12050163; genistein 8-c-glucoside | C21H20O10 | 432.38 | C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN038086 | pedunculoside | Pedunculoside; 42719-32-4; BG01194158; Y0154; CHEMBL508539; MolPort-027-720-897; ZINC49899431; C36H58O10; MFCD01632712; N2574; (2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL (1R,2R,4AS,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-1,10-DIHYDROXY-9-(HYDROXYMETHYL)-1,2,6A,6B,9,12A-HEXAMETHYL-2,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLATE | C36H58O10 | 650.84 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN039828 | sophoranochromene | LMPK12140052; Sophoranochromene | C30H34O4 | 458.6 g/mol | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C3CC(=O)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)C |
| TCMBANKIN041021 | abrisaponin i | C48H74O20 | 971.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN042399 | Sophoradiol | 442.72 | |||
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN042957 | Sophoraflavone B | LMPK12110025; Sophoraflavone B | 416.4 g/mol | ||
| TCMBANKIN044589 | sophoranone | 23057-55-8; (2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-4-chromanone; C08719; 4',7-dihydroxy-3',5' ,8-triprenylflavanone; Sophoranone; (2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one; 7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one; AC1NASKV | C30H36O4 | 461 | O([H])c1c([H])c([H])c2c(O[C@]([H])(c3c([H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c3[H])C([H])([H])C2=O)c1C([H])([H])\C([H ])=C(/C([H])([H])[H])\C([H])([H])[H] |
| TCMBANKIN046113 | α-Maackiain-β-D-glucoside | ||||
| TCMBANKIN046173 | alpha-Maackiain-mono-beta-D-glucoside | C22H22O10 | 446.404 | c12c(c([H])c(O[C@]([H])(c(c([H])c([H])c(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c4[H])c4OC5([H])[H])[C@]56[H])c6c1[H])OC([H])([H])O2 | |
| 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 |
| TCMBANKIN046340 | maackiain | DivK1c_006653; ACon1_001470; KBio2_005854; KBio2_000718; {6H-[1,3]Dioxolo[5,6]benzofuro[3,} {2-c][1]benzopyran-3-ol,6a,12a-dihydro-,} (6aR-cis)- (CA INDEX NAME); MolPort-001-741-842; 6H-[1,6]benzofuro[3,2-c][1]benzopyran-3-ol,6a,12a-dihydro-, (6aR-cis)- (CA INDEX NAME); Maackiain; AC1Q70VW; AC1L7NNG; BSPBio_001901; I14-33926; 6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol; Y0131; 19908-48-6; NP-005240; cis-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol; SCHEMBL12810278; MCULE-6921694418; KBioSS_000718; 4CN-0700; KBio2_003286; CHEMBL239047; BRD-A95445494-001-03-7; SpecPlus_000557; KBio1_001597; 6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromen-3-ol; Spectrum_000238; NCGC00095514-02; SPECTRUM201654; NSC-629152; Spectrum4_001528; FT-0689334; 3-hydroxy-8,9-methylenedioxypterocarpane; NCGC00095514-01; KBioGR_001936; Spectrum2_001925; Spectrum5_000036; SPBio_001929; AKOS015909127; KBio3_001401; NSC629152; 6a,12a-Dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol; CCG-38492; 6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)chromen-3-ol; CHEBI:73029; HUKSJTUUSUGIDC-UHFFFAOYSA-N; 6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromen-3-ol #; 5,7,11,19-TETRAOXAPENTACYCLO[10.8.0.0(2),(1)?.0?,?.0(1)(3),(1)?]ICOSA-2(10),3,8,13(18),14,16-HEXAEN-16-OL; Spectrum3_000231; MFCD02113824; NCGC00095514-04!; 6a,12a-dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-ol; NCGC00095514-03 | C16H12O5 | 284.26 g/mol | C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
| TCMBANKIN046469 | trifolrhizin | LMPK12070033; (-)-Maackiain 3-O-glucoside | C22H22O11 | 462.403 | c1([H])c([H])c([C@]([H])(Oc(c([H])c(OC([H])([H])O2)c2c3[H])c34)[C@@]4([H])C([H])([H])O5)c5c([H])c1OO[C@@]([H])(O[C@](C([H])([H])O[H])([H])[C@]6(O[H])[H])[C@@]([H])(O[H])[C@@]6(O[H])[H] |
| TCMBANKIN047202 | Campherenol | NCGC00385952-01_C15H26O_1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo[2.2.1]heptan-2-ol; 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol; campherenol; MCULE-1605960082; AC1NSTBN | C15H26O | 222.37 | CC(=CCCC1(C2CCC1(C(C2)O)C)C)C |
| TCMBANKIN048523 | Cytisine | PDSP2_000459; SCHEMBL13595657; cytisine; HMS1569N10; SPBio_002807; Prestwick0_000624; (1S,5R)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one; Prestwick2_000624; C10763; Prestwick1_000624; STK080772; 485-35-8 | C11H14N2O | 190.24 | C1C2CNCC1C3=CC=CC(=O)N3C2 |
| TCMBANKIN048691 | alpha-Guttiferin | alpha-guttiferin | C27H32O6 | 452.59 | C1(C([H])([H])[H])=C(C([H])([H])[H])c2c(c(C(=O)C(\C(=C(/C([H])([H])C([H])([H])[H])\O[H])\[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])=C3[H])c(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H ])[H])c2O[H])OC1=O |
| TCMBANKIN048833 | 2'-O-methylisoliquiritigenin | (E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; C15531; 2'-o-methyl isoliquiritigenin; 2'-O-Methyl isoliquiritigenin; (E)-1-(4-hydroxy-2-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | C16H14O4 | 270.28 | c1(O[H])c([H])c([H])c(C(=O)\C([H])=C([H])\c2c([H])c([H])c(O[H])c([H])c2[H])c(OC([H])([H])[H])c1[H] |
| TCMBANKIN049986 | 1,2,3-Tri-O-galloyl-beta-D-glucose | 1,2,3-tri-o-galloyl-β-d-glucose; NCGC00385134-01![(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate; 1,2,3-tri-O-galloyl-β-D-glucose; (2R,3R,4S,5R,6S)-3-HYDROXY-2-(HYDROXYMETHYL)-5,6-BIS(3,4,5-TRIHYDROXYBENZOYLOXY)OXAN-4-YL 3,4,5-TRIHYDROXYBENZOATE; MolPort-021-804-759; MCULE-6716368229; Galloyl 2-O,3-O-digalloyl-beta-D-glucopyranoside; [(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-4-yl] 3,4,5-trihydroxybenzoate; 1,2,3-tri-o-galloyl-beta-d-glucose; SCHEMBL5664995; AC1NT146; ZINC77269615 | 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 |
| TCMBANKIN057977 | SPM | NSC69852 (TETRAHYDROCHLORIDE); S3256_SIGMA; Diaminopropyltetramethylenediamine; musculamine; 3-aminopropyl-[4-(3-aminopropylamino)butyl]amine; AIDS005222; NSC268508; HSCI1_000212; SPERMINE; 4,9-Diaza-1,12-dodecanediamine; NSC 268508; NCIMech_000206; diaminopropyl-tetramethylenediamine; 4,9-Diazadodecamethylenediamine; N,N'-bis(3-aminopropyl)butane-1,4-diamine; AI3-26633; NCI60_035280; Biomol-NT_000213; gerontine; N,N'-Bis(3-aminopropyl)-1,4-butane-diamine; 71-44-3; 71-44-3 (FREE BASE); BPBio1_001086; 1,4-Bis(aminopropyl) butanediamine; EINECS 200-754-2; Spermine, puriss; NCGC00024902-01; WLN: Z3M4M3Z; N,N'-Bis(3-aminopropyl)-1,4-diaminobutane; BRN 1750791; 306-67-2 (TETRAHYDROCHLORIDE); 1,4-Bis(aminopropyl)butanediamine; 115-04-8; Lopac-S-2876; NSC268508 (FREE BASE); AIDS-005222; Spermine dihydrate; Tocris-0958; 85588_FLUKA; 4-04-00-01301 (Beilstein Handbook Reference); Spermin; Lopac0_001077; C00750; 1,4-Diaminobutane, N,N'-bis(3-aminopropyl)-; NCGC00015941-01; S4264_SIGMA; neuridine; N,N'-Bis(3-aminopropyl)-1,4-butanediamine; 4,9-Diazadodecane-1,12-diamine; NCGC00024902-03; 1,4-Butanediamine, N,N'-bis(3-aminopropyl)-; CHEBI:15746; spermine | C10H26N4 | 202.34 g/mol | C(CCNCCCN)CNCCCN |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058216 | Sophoraflavonoloside | 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside; sophoraflavonoloside; Kaempferol-3-O-sophoroside; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol-3-sophoroside; Kaempferol 3-O-beta-D-sophoroside; C12634; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol 3-O-sophoroside; K3S; Flavone, 3,4',5,7-tetrahydroxy-, 3-(2-O-beta-D-glucopyranosyl-beta-glucopyranoside); 30373-88-7; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 19895-95-5; 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-diglucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;kaempferol-3-sophoroside | C27H30O16 | 610.52 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| TCMBANKIN058229 | daidzein | Daidzei; 486-66-8; AIDS-059333; ST057515; KBio2_005871; CCRIS 7600; 7-Hydroxy-3-(4-hydroxy- phenyl)- chromone; SPBio_000205; AIDS059333; 4′,7-Dihydroxy- iso- flavone; nchembio.2007.28-comp31; KBio2_003303; Spectrum3_000191; Isoflavone, 4',7-dihydroxy- (8CI); Oprea1_182317; 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one; Spectrum5_000857; NCGC00025156-01; BiomolKI_000060; S00273; NCGC00015365-01; KBio1_001023; BiomolKI2_000066; KBioSS_000735; Daidzeol; SMP1_000089; 7,4'-Dihydroxyisoflavone; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; C10208; SPECTRUM200789; nchembio.76-comp16; BSPBio_001741; NCGC00025156-09; Daidzein (6CI); 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-; BRN 0231523; 5-18-04-00089 (Beilstein Handbook Reference); Daidzein; Daidzein (4',7-Dihydroxyisoflavone); KBioGR_002432; NINDS_001023; KBio2_000735; ACon1_000543; NCGC00025156-07; ZINC00047551; daidzein ; NCGC00025156-02; Lopac-D-7802; Tocris-1417; 7-hydroxy-3-(4-hydroxyphenyl)chromone; ACon0_001477; 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone; KBio3_001241; DivK1c_001023; Spectrum4_001964; K 251b; UPCMLD-DP052:001; IDI1_001023; MEGxm0_000123; Lopac0_000412; D7802_SIGMA; Spectrum2_000053; EINECS 207-635-4; Spectrum_000255; 4′,7-Dihydroxyisoflavone; NCGC00025156-05; 4',7-Dihydroxy-iso-flavone; NCGC00025156-04; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-hydroxy-3-(4-hydroxyphenyl)-4-chromenone; 7-Hydroxy-3-(4-hydroxy- phenyl)-4H-1-benzo- pyran-4-one; EU-0100412; CHEBI:28197; SDCCGMLS-0066422.P001; 4',7-Dihydroxyisoflavone; Oprea1_305345 | C15H10O4 | 254.24 | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| TCMBANKIN058363 | n-phenyl-2-naphthylamine | Fenyl-beta -naftylamin; Phenyl-beta-naphtilamine; 4-12-00-03128 (Beilstein Handbook Reference); I14-13875; AC1L1RHP; NCGC00091111-05; W-108255; N-.beta.-Naphthyl-N-phenylamine; MLS002608023; KEQFTVQCIQJIQW-UHFFFAOYSA-N; N-Phenyl-beta -naphthylamine; Antioxidant PBN; N-2-Naphthylaniline; DTXSID4021131; AC-13068; 52907-17-2; CCRIS 853; N-Phenyl-2-naphthylamine; NCGC00091111-01; HSDB 2888; N-beta-Naphthyl-N-phenylamine; KB-55551; N-Phenyl-beta-naphthylamine; CJ-27101; Fenyl-beta-naftylamin; ACMC-209c4p; P.B.N; A807001; Fenyl-beta-naftylamin [Czech]; Stabilizer AR; RL01609; UNII-456KT854AJ; 2-naphthalenamine,n-phenyl-; KS-00000VGP; AC1Q1IST; AN-23110; Jsp002174; DSSTox_RID_75962; 2-naphthylaniline; Naftam 2; NSC 37151; N-Phenyl-2-naphthylamine, 97%; 135-88-6; 2-(N-Phenylamino)naphthalene; N-beta -naphthyl-N-phenylamine; Phenyl-2-naphthylamine; T6903; NCGC00259440-01; Phenyl-beta-naphthylamine; CHEBI:34877; V0380; N-Fenyl-2-aminonaftalen [Czech]; beta-Naphthylphenylamine; SCHEMBL6435930; Oprea1_737712; Neozone; 2-Naphthylphenylamine; 2-Anilinonaphthalene; N-Phenyl-.beta.-amino-naphthalene; STK367409; 2-Phenylaminonaphthalene; Stabilator AR; PBNA; AJ-29138; BIDD:ER0357; EINECS 205-223-9; SCHEMBL38433; NCGC00091111-02; Antioxidant 116; NCGC00256440-01; ac eto pbn; Neozone D; DB-063104; KSC491Q7L; NSC37151; Noclizer D; AKOS001426472; Nocrac D; Neosone D; 2-NAPHTHYLAMINE, N-PHENYL-; Aceto PBN; CTK3J1875; CJ-06100; 2-Naphthalenamine, N-phenyl-; AK-58488; AI3-00068; Fenyl-.beta.-naftylamin; MCULE-5821072787; NCGC00091111-03; InChI=1/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17; Vulkanox PBN; 456KT854AJ; ST50165453; Nonox DN; phenyl-b-naphthylamine; 2-(n-phenylamino)-naphthalene; N-Phenyl-2-naphthalenamine; 84420-28-0; N-Phenyl-.beta.-naphthylamine; neosone d; [2]naphthyl-phenyl-amine; RTR-004823; DSSTox_CID_1131; CHEMBL1543632; beta -naphthylphenylamine; AC1Q4TNM; N-(2-Naphthyl)-N-phenylamine; NSC-37151; BBL000386; ZINC1669780; C14694; .beta.-Naphthylphenylamine; P0198; Neozon D; A-naphthylamine; Nonox DNStabilizer AR; NCGC00091111-04; Stabilator A.R; WLN: L66J CMR; N-Fenyl-2-aminonaftalen; CAS-135-88-6; LS-19; N-Phenylnaphthalen-2-amine; AgeRite Powder; Nilox PBNA; Tox21_201891; TRA0097315; TR-004823; ST24031437; Nonox D; DSSTox_GSID_21131; NCI-C02915; SMR000112180; phenyl-beta -naphthylamine; AK 1 (stabilizer); N-(2-Naphthyl)aniline; ANW-19991; MFCD00004052; Stabilizator AR; BRN 2211188; MolPort-000-514-795; Antioxygene MC; Tox21_302900; Anilinonaphthalene; N-phenyl-N-; Phenyl-.beta.-naphthylamine;135-88-6; Aceto PBN; WLN: L66J CMR; Phenyl-beta-naphtilamine; Phenyl-2-naphthylamine; 4-12-00-03128 (Beilstein Handbook Reference); Phenyl-beta-naphthylamine; AIDS417346; 2-Naphthalenamine, N-phenyl-; AI3-00068; N-Fenyl-2-aminonaftalen [Czech]; N-phenyl-2-naphthalenamine; InChI=1/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17; Vulkanox PBN; AgeRite Powder; beta-Naphthylphenylamine; Nilox PBNA; Oprea1_737712; Neozone; 2-Anilinonaphthalene; 2-Naphthylphenylamine; N-Phenyl-.beta.-amino-naphthalene; Nonox DN; 2-Phenylaminonaphthalene; Antioxidant PBN; N-2-Naphthylaniline; 52907-17-2; CCRIS 853; 84420-28-0; N-Phenyl-2-naphthylamine; N-Phenyl-.beta.-naphthylamine; NCGC00091111-01; ZINC01669780; HSDB 2888; N-Phenyl-beta-naphthylamine; 178055_ALDRICH; EINECS 205-223-9; NCI-C02915; AIDS-417346; NCGC00091111-02; Fenyl-beta-naftylamin [Czech]; AK 1 (stabilizer); Stabilizer AR; Antioxidant 116; N-(2-Naphthyl)aniline; N-phenylnaphthalen-2-amine; Stabilizator AR; 2-Naphthylamine, N-phenyl-; Neozone D; NSC37151; C14694; AK 1; ST5165453; Noclizer D; 2-naphthyl-phenyl-amine; BRN 2211188; NSC 37151; Naftam 2; Nocrac D; .beta.-Naphthylphenylamine; Anilinonaphthalene; Neozon D; Phenyl-.beta.-naphthylamine;Nonox D | C16H13N | 219.28 g/mol | C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2 |
| TCMBANKIN058394 | coumarin | KBio3_002764; HSDB 1623; coumari; NSC284685; Spectrum5_000555; AC1L7KKB; SPECTRUM1400208; WLN: T66 BOVJ; 2H-Benzo[b]pyran-2-one; cis-o-Coumarinic acid lactone; BRN 0383644; Benzo-a-pyrone; BSPBio_003263; Spectrum_001336; o-Hydroxyzimtsaure-lacton [German]; 6-(1,2-DIHYDROXY-3-METHYL-3-BUTENYL)-7-METHOXYCOUMARIN; 2H-chromen-2-one; NSC-284685; 1,2-benzopyrone; Thamnosmonin; 2H-1-Benzopyran-2-one; 2H-1-Benzopyran, 2-oxo-; 2-chromenone; Benzo-.alpha.-pyrone; NSC8774; Cumarin; 91-64-5; 6-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one; C05851; o-hydroxycinnamic acid delta-lactone; 28150_FLUKA; Coumarin; COUMARIN (I); Tonka bean camphor; Spectrum2_000303; KBio2_006952; Cinnamic acid, o-hydroxy-, delta-lactone; InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6; o-Hydroxycinnamic lactone; 6-7-methoxy-2h-1-benzopyran-2-one; NSC 8774; NSC-220196; NSC220196; SMR000059040; NCGC00091502-04; NCGC00091502-01; CHEMBL498094; 6-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one; Coumarinic lactone; Kumarin [Czech]; 6-(1,2-DIHYDROXY-3-METHYLBUT-3-EN-1-YL)-7-METHOXYCHROMEN-2-ONE; Cinnamic acid, o-hydroxy-, .delta.-lactone; Spectrum3_001772; Rattex; chromen-2-one; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, .delta.-lactone; NCGC00091502-02; 2H-1-Benzopyran-2-one, 6-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-; D03ZMQ; C4261_SIGMA; W526509_ALDRICH; NCI C07103; SBB000094; 5-17-10-00143 (Beilstein Handbook Reference); NCGC00091502-03; SPBio_000266; 2-Oxo-1,2-benzopyran; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone; AIDS-009326; NCGC00091502-05; coumarin ; CHEBI:28794; EINECS 202-086-7; CCRIS 181; CTK5B0978; 5,6-Benzo-alpha-pyrone; 2-Propenoic acid, 3-(2-hydroxyphenyl)-delta-lactone; ZINC00074709; o-Hydroxycinnamic acid lactone; KBio2_004384; COU; AIDS009326; Benzo-alpha-pyrone; Coumarin, Chinese; o-Coumaric acid lactone; KBioGR_002460; Coumarinic anhydride; 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; SDCCGMLS-0066912.P001; KBioSS_001816; KBio2_001816; 3-(2-Hydroxyphenyl)-2-propenoic delta-lactone; 1-Benzopyran-2-one; Coumarine; NCI60_041938; 2H-Benzopyran-2-one; 1,2-Benzopyrone; MLS000028741; 5,6-Benzo-2-pyrone; 2H-Benzo(b)pyran-2-one; EPA Pesticide Chemical Code 127301; cis-o-Coumaric acid anhydride; Spectrum4_001818; 60094-90-8; Caswell No. 259C; AI3-00753 | C9H6O2 | 146.14 | C1=CC=C2C(=C1)C=CC(=O)O2 |
| TCMBANKIN058559 | sophojaponicin | (+)-Maackiain 3-O-glucoside; LMPK12070032; Sophojaponicin; sophoraponicin | C22H22O10 | 446.4 | C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6 |
| TCMBANKIN058596 | 5-hydroxymatrine | (+)-Sophoranol; 3411-37-8; CHEMBL3590537; 411S378; MolPort-039-338-505; C17069; Sophoranol; SCHEMBL564487; 5-Hydroxymatrine; CHEBI:80905; sophoranol; (+)-sophoranol | C15H24N2O2 | 264.36 g/mol | C1CC2C3CCCN4C3C(CCC4)(CN2C(=O)C1)O |
| TCMBANKIN058601 | oxysophocarpine | N1280; AC-7981; SCHEMBL15133349; 26904-64-3; N-Oxysophocarpine; n-oxysophocarpine; AKOS015965398; 2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #; QMGGMESMCJCABO-UHFFFAOYSA-N; Oxysophocarpine; Sophocarpine, N-oxide; 6-OXO-7,13-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADEC-4-EN-13-IUM-13-OLATE; AC1LDHOM; FT-0689395; sophocarpine n-oxide; N-oxysophocarpine; OXYSOPHOCARPINE | C15H22N2O2 | 262.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-] |
| TCMBANKIN058603 | sophocarpine | Sophocarpine; ZINC5282946; AIDS-122681; AIDS122681; 145572-44-7 (MONOHYDRATE); (-)-(7aS,13aR,13bR,13cS)-2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one; Matridin-15-one, 13,14-didehydro-; Matridin-15-one, 13,14-didehydro- (9CI); (-)-Sophocarpine; 1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, 2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, (7aS,13aR,13bR,13cS)-; BB_NC-1020; 13,14-Didehydromatridin-15-one; (-)-sophocarpine | C15H22N2O | 246.35 g/mol | C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
| 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 |
| TCMBANKIN058697 | T-Terpineol | cis-β-terpineol;trans-belta-terpineol;cis-belta-terpineol;trans-β-terpineol;4-isopropenyl-1-methyl-cyclohexanol | C10H18O | 154.25 g/mol | CC(=C)C1CCC(CC1)(C)O |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)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 |
| TCMBANKIN058726 | selina-4(15),7(11)-diene | eudesma-4-(14), 7(11)diene; Gamma-Selinene; eudesma-4(14),7(11)-diene; (4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene; CHEBI:138051; gamma-selinene; Selina-4(15),7(11)-diene; 515-17-3; C21707; Selina-4(14),7(11)-diene; (4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene; RMZHSBMIZBMVMN-LSDHHAIUSA-N; Eudesma-4(14),7(11)-diene | C15H24 | 204.35 g/mol | CC(=C1CCC2(CCCC(=C)C2C1)C)C |
| TCMBANKIN058812 | sophoradine | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one; 23057-54-7; Sophoradin; AC1NT0GX; LMPK12120050; SCHEMBL632857; sophoradin | C30H36O4 | 460.6 g/mol | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)C2=C(C(=C(C=C2)O)CC=C(C)C)O)C |
| TCMBANKIN058821 | lycopene | lycopene ; .psi.,.psi.-Carotene; CHEMBL1984187; ZINC73316185; 2,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-; NSC-407322; NSC407322; all-trans-Lycopene; Lycopene all-trans-; C05432; Spectrum4_001998; KBio2_002146; Lycopene, all-trans- (8CI); BSPBio_003389; (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; trans-Lycopene; NSC 407322; Lycopene (VAN); NCGC00166291-01; EINECS 207-949-1; 502-65-8; KBio2_004714; Lycopene; Spectrum_001666; KBio3_002892; KBioSS_002146; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; CCRIS 7925; NCI60_003882; CI 75125; LMPR01070257; L9879_SIGMA; Lycopene 7; Spectrum3_001805; Psi,psi-carotene; KBioGR_002563; C.I. 75125; 2,6,10,14,19,23,27,31-Octamethyl-dotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene; CHEBI:15948; KBio2_007282; Natural yellow 27; LYC | C40H56 | 536.9 g/mol | CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C |
| TCMBANKIN058833 | zeta-carotene | LS-187070; xi-Carotene; CHEBI:28068; AC1NQXL2; BIWLELKAFXRPDE-WTXAYMOSSA-N; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene; C05430; (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene; all-trans-zeta-carotene; zeta-Carotene; Zeta-Carotin; 7,8,7',8'-tetrahydro-psi,psi-carotene; LS-187678; LMPR01070256; 13587-06-9; CHEBI:27362;ζ-carotene | C40H60 | 540.9 g/mol | CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C |
| TCMBANKIN058840 | angelin | umbelliprenin2021/11/13; 532-16-1; (E,E)-7-((3,7,11-Trimethyl-2,6,10-dodecatrienyl)oxy)-2H-1-benzopyran-2-one; ZINC02126785; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)coumarin; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-2-chromenone; 7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)chromen-2-one; A1784/0075600; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]coumarin; 30413-87-7; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-2-chromenone; 7-[(2E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one; 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one | C24H30O3 | 366.5 g/mol | CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C |
| 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 |
| TCMBANKIN059188 | beta-Terpinene | 1-isopropyl-4-methylene-cyclohexene; β-terpinene; 1-isopropyl-4-methylenecyclohexene; EINECS 202-793-0; 4-methylidene-1-propan-2-ylcyclohexene; p-Mentha-1(7),3-diene; 4-methylidene-1-propan-2-yl-cyclohexene; 99-84-3; Cyclohexene, 4-methylene-1-(1-methylethyl)-; Cyclohexene,4-methylene-1-(1-methylethyl)-; belta-terinene;Cyclohexene,4-methylene-1-(1-methylethyl) | C10H16 | 136.23 | CC(C)C1=CCC(=C)CC1 |
| TCMBANKIN059195 | (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane | (1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane | C10H16 | 136.23 g/mol | CC(C)C12CCC(=C)C1C2 |
| TCMBANKIN059396 | Tigloidine;3alpha-Tigloyloxytropane | tigloidine;3alpha-tigloyloxytropane | C13H21NO2 | 223.31g/mol | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| 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 | |
| TCMBANKIN059636 | epoxydihydro-oleanolicacid | C30H48O4 | CC1(CCC2(CCC3(C4(CCC5C(C(CCC5(C4CC6C3(C2C1)O6)C)O)(C)C)C)C)C(=O)O)C | ||
| TCMBANKIN059700 | Withaferine | C28H38O6 | 470.6 g/mol | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO | |
| TCMBANKIN059709 | gamma-carotene | C40H56 | 536.9 g/mol | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059836 | thymol | C10H14O | 150.22 | CC1=CC(=C(C=C1)C(C)C)O | |
| TCMBANKIN059907 | (+)-alpha-Curcumene | C15H22 | 202.33 g/mol | CC1=CC=C(C=C1)C(C)CCC=C(C)C | |
| TCMBANKIN059914 | alpha-terpinene | C10H16 | 136.23 | CC1=CC=C(CC1)C(C)C | |
| TCMBANKIN059971 | beta-Curcumene | C10H16 | 136.23 | CC1=CCC(=CC1)C(C)CCC=C(C)C | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN059983 | β-bisabolene | C15H24 | 204.35 g/mol | CC1=CCC(CC1)C(=C)CCC=C(C)C | |
| TCMBANKIN060000 | carotol | C15H26O | 222.37 | CC1=CCC2(CCC(C2(CC1)O)C(C)C)C | |
| TCMBANKIN060012 | alpha-bergamotene | C15H24 | 204.35 g/mol | CC1=CCC2CC1C2(C)CCC=C(C)C | |
| TCMBANKIN060026 | δ-carotene | C40H56 | 536.87 | CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)(C)C | |
| TCMBANKIN060083 | wistariasapogenol A | C30H48O4 | 472.7 | CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5=O)(C)CO)C)C)C)(C)CO)O | |
| TCMBANKIN060179 | abrisaponin i | C48H74O20 | 971.1 g/mol | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8=O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O | |
| TCMBANKIN060556 | peduneuloside | C36H58O10 | 650.84 | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O | |
| TCMBANKIN060575 | alpha-gurjunene | C15H24 | 204.35 g/mol | CC1CCC2C(C2(C)C)C3=C(CCC13)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060921 | (5S)-5-hexyloxolan-2-one | C10H18O2 | 170.25 | CCCCCCC1CCC(=O)O1 | |
| TCMBANKIN060932 | trans-falcarindiol | C17H24O2 | 260.37 | CCCCCCCC=CC(C#CC#CC(C=C)O)O | |
| TCMBANKIN060975 | gamma-Dodecalactone | C4H6O2 | 86.09 | CCCCCCCCC1CCC(=O)O1 | |
| TCMBANKIN061013 | Petroselic acid | C18H34O2 | 282.5 g/mol | CCCCCCCCCCCC=CCCCCC(=O)O | |
| TCMBANKIN061311 | N-methylcytisine | C12H16N2O | 204.27 | CN1CC2CC(C1)C3=CC=CC(=O)N3C2 | |
| TCMBANKIN061386 | Oxynarcotine | 2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid; AC1NSZCW; SCHEMBL11790808; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]-1-oxoethyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]benzoic acid; 2,3-dimethoxy-6-[2-[4-methoxy-6-(2-methylaminoethyl)-1,3-benzodioxol-5-yl]ethanoyl]benzoic acid; Nornarceine; 2,3-dimethoxy-6-[2-[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]benzoic acid; oxynarcotine; nornarceine | C22H25NO8 | 431.44 g/mol | CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
| TCMBANKIN061711 | Gazarin | 2,4,5-trimethoxybenzaldehyde;PubChem8263; K-8969; NSC-89299; MLS002695891; UNII-NDU8J2Q00D; NSC 89299; NCGC00091253-01; MFCD00003312; Asaraldehyde (Asaronaldehyde); SDCCGMLS-0066425.P001; ST2415708; 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI; KBio3_001139; 14374-62-0; AN-12166; DB-051236; KB-85563; 2,4,5-Trimethoxy-benzaldehyd; SBB040214; ACMC-1ADV9; NCGC00091253-03; 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%; NSC89299; Spectrum5_000618; HMS3656M12; CCG-38657; DSSTox_CID_2217; MLS006011864; BCP9000230; AK-81441; STK802187; LABOTEST-BB LT00926884; NCGC00091253-07; TIMTEC-BB SBB040214; TRA0030137; CHEMBL1164301; ZINC336939; NCGC00091253-02; AP-065/41884113; TL806230; AKOS BBS-00003175; LS-1267; BG01511388; CS-6035; 3,6-Trimethoxybenzaldehyde; Asaraldehyde; Spectrum_000818; AKOS000119399; F2190-0582; SR-05000002433; SCHEMBL333451; 3,4, 6-Trimethoxybenzaldehyde; DSSTox_GSID_22217; AB1004251; 2,5-Trimethoxybenzaldehyde; ANW-30143; ZB010841; 4CA-0107; BRD-K88219015-001-02-5; Azarylaldehyde; NCGC00091253-05; DSSTox_RID_76523; BBL011033; SMR000112148; LABOTEST-BB LT03381259; Spectrum3_000170; HMS1922P08; AC-4247; KSC236C5N; BSPBio_001639; Spectrum2_000386; DTXSID1022217; CHEBI:113543; HY-100580; NCI-C61632; BG00603133; MLS002473312; 3,4,6-Trimethoxybenzaldehyde; LABOTEST-BB LT03330935; BCP0726000304; ST093686; CTK1D6156; Asarylaldehyde, analytical standard; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; CAS-4460-86-0; s2531; I01-1219; RTR-017129; PS-6109; 2,4,5-Trimethoxybenzaldheyde; NDU8J2Q00D; AJ-19817; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; 2,4,5-TRIMETHOXYBENZALDEHYDE; KS-00000KKZ; SR-05000002433-1; KBioGR_002238; HMS2268O16; AS02818; LS10199; TR-017129; AC1L2GG7; Gazarin; Acrolein(Propenal); IAJBQAYHSQIQRE-UHFFFAOYSA-N; NCGC00091253-06; RP25437; Tox21_400070; Asaronaldehyde; FT-0609813; Asaraldehyde - Asaronaldehyde; MCULE-7174618286; Spectrum4_001759; AC1Q490G; KBioSS_001298; PARAGOS 530447; KBio2_006434; BCPP000436; MolPort-000-871-193; 60T860; 2,4,5-trimethoxy-benzaldehyde; EINECS 224-713-3; Asarylaldehyde, NSC 89299;4460-86-0; SPBio_000571; 4460-86-0; SC-04555; KBio2_003866; CCRIS 1296; HSDB 4502; Q-100162; 2,4,5-Trimethoxy benzaldehyde; A26620; 4-08-00-02715 (Beilstein Handbook Reference); BB_SC-1446; NCGC00091253-04; AI3-36671; 2,4,5-Trimethoxybenzaldehyde, 98%; Asarylaldehyde;NCI-C61632; ZINC00336939; 3,4,6-Trimethoxybenzaldehyde; Asaraldehyde; Asaronaldehyde; Spectrum_000818; NSC 89299; NCGC00091253-01; SPECTRUM200208; InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H; KBio2_001298; SDCCGMLS-0066425.P001; 92133_FLUKA; KBio3_001139; 14374-62-0; Spectrum4_001759; KBioSS_001298; KBio2_006434; BRN 1951403; Benzaldehyde, 2,4,5-trimethoxy-; Azarylaldehyde; 2,4,5-TRIMETHOXYBENZALDEHYDE; NCGC00091253-03; KBioGR_002238; EINECS 224-713-3; Spectrum5_000618; NSC89299; SPBio_000571; AP-065/41884113; 4460-86-0; Spectrum3_000170; KBio2_003866; CCRIS 1296; HSDB 4502; 2,4,5-Trimethoxy benzaldehyde; 4-08-00-02715 (Beilstein Handbook Reference); NCGC00091253-02; BSPBio_001639; ST5213363; 132152_ALDRICH; AI3-36671; Spectrum2_000386;;Asarylaldehyde;asaronaldehyde;2,4,5-Trimethoxybenzaldehyde | C10H12O4 | 196.2 | COC1=CC(=C(C=C1C=O)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 |
| TCMBANKIN061792 | syringin | C17H24O9; Glucoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl, D; beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl; LS-172368; Ligustrin (VAN); NSC 287441;syringenone;Syrigin;cis-syringin;ligustrin | C17H24O9 | 372.4 g/mol | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO |
| 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 |
| TCMBANKIN061884 | Pterocarpine | ZINC02048856; pterocarpine | C17H14O5 | 298.29 | COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
植物对应的疾病
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植物对应的靶点
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