Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE006426 |
ID: | TCMBANKHE006426 |
植物拉丁名: |
|
功能与主治: | To relieve asthma and cough, to alleviate pain, and to arrest spasm./Cough and asthma without phlegm, cold pain in heart and Datura stramonium . |
药用植物名: | 洋金花 |
药用部位: | seed , abdomen, wind-damp impediment pain, knocks and falls, epilepsy, chronic fright wind, anesthesia |
药味: | Pungent; warm |
经络: | Heart; lung; spleen |
毒性: | toxic |
临床特征: | 1. Exerting peripheral parasympatholytic effect, and causing tachycardia, mydriasis, dryness of skin and mouth, and relaxation of alimentary and bronchial smooth muscles.2. Acting as a central depressor stronger than Atropine, occasionally inducing halluc |
治疗类型: | 止咳平喘药 |
TCM_ID_id: | 6237 |
SymMap_id: | 452 |
TCMSP_id: | 1077 |
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 |
|---|
| TCMBANKIN000341 | 3-O-β-D-glueopyranosyl-(1→2)glueoPyranosyl-Kaempferol | 610.57 | |||
| TCMBANKIN000373 | Daturameteloside E | Daturameteloside D | 650.84 | ||
| TCMBANKIN002295 | Datumetine | datumetine | C16H21NO3 | 275.34 | CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC |
| TCMBANKIN004243 | Secowithamerclin | 468.69 | |||
| TCMBANKIN004657 | (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,6-dihydropyran-2-one | (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-4-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-5,6-dihydropyra; (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl]-4-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5,6-dihydropyr; (6R)-6-[(1R)-2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-1-keto-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5,6-dihydropyran-2-o; (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl]-4-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,6-dihydropyran-2-one | 616.82 | ||
| TCMBANKIN004974 | Withametelin E | C28H38O7 | 486.6 g/mol | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)CO | |
| TCMBANKIN006189 | Datuarmeteloside B_qt | 470.66 | |||
| TCMBANKIN006405 | Daturametelamdie B | 277.35 | |||
| TCMBANKIN006765 | Daturameteloside G | 636.86 | |||
| TCMBANKIN007020 | withanoside Ⅲ_qt | 490.7 | |||
| TCMBANKIN007313 | Datuarmeteloside B | 632.82 | |||
| TCMBANKIN008150 | Withametelin C | C28H42O6 | 474.6 g/mol | CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)CCC5)C)O)O)C)C | |
| TCMBANKIN008596 | Datuarmeteloside C | 648.82 | |||
| TCMBANKIN008762 | Daturameteloside J_qt | 490.7 | |||
| TCMBANKIN008864 | withanoside Ⅲ | 652.86 | 5.562461 | ||
| TCMBANKIN009309 | Daturameteloside I_qt | 474.7 | |||
| TCMBANKIN011181 | Daturameteloside G_qt | 474.7 | |||
| TCMBANKIN012912 | Daturameteline K | 550.76 | |||
| TCMBANKIN012973 | Norhyoscyamine | norhyoscyamine | C16H21NO3 | 275.34 | C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3 |
| TCMBANKIN013379 | Daturameteline M | Datuarmeteline G | 504.68 | ||
| TCMBANKIN013464 | Daturameteline B | 490.7 | |||
| TCMBANKIN013519 | Withafastuosin F | Withafastuosin E | C28H40O7 | 488.6 g/mol | CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO |
| TCMBANKIN013969 | Daturameteline A | 486.66 | |||
| TCMBANKIN014040 | Daturameteloside F | 666.84 | |||
| TCMBANKIN014752 | methyl (2S)-3-hydroxy-2-phenylpropanoate | (2S)-3-hydroxy-2-phenylpropanoic acid methyl ester; methyl (2S)-3-hydroxy-2-phenyl-propanoate; (2S)-3-hydroxy-2-phenyl-propionic acid methyl ester | C10H12O3 | 180.2 | |
| TCMBANKIN015829 | Zizybeoside I | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-(benzyloxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol; C17564; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; Benzyl 2-O-beta-D-glucopyranosyl beta-D-glucopyranoside; 10-44-6; zizybeoside i; CHEBI:81187 | C19H28O11 | 432.4 g/mol | C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O |
| TCMBANKIN016121 | Daturametelin A | daturametelin a | C34H48O9 | 600.74 | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)COC6C(C(C(C(O6)CO)O)O)O |
| TCMBANKIN017274 | Daturametelamdie A | 277.35 | |||
| TCMBANKIN017381 | 7-O-β-D-glucopyranosyl-KaemPferol | 3-O-α-L-rhamnopyranosyl(l→6)-β-D-glueopyranosyl | 756.73 | ||
| TCMBANKIN017577 | pseudotropine | ZB006875; tropinium; (1R,3R,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; CHEBI:57554; A807009; (3-endo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol; (3-exo,8-syn)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane; CHEBI:57493; (1R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; A804485; pseudotropinium | C8H15NO | 141.21 | CN1C2CCC1CC(C2)O |
| TCMBANKIN018262 | Datuarmeteloside A | 650.84 | |||
| TCMBANKIN018972 | troPane-3α | 6β-diol | C8H15NO2 | 157.21 | |
| TCMBANKIN019068 | Quercetin-3 | 7-O-diglucoside | 626.57 | ||
| TCMBANKIN019107 | trans-p-hydroxyphenylethanol-p-β-coumarate | (E)-4-hydroxyphenethyl 3-(4-hydroxyphenyl)acrylate; tarns-s-tans-p-hydroxy-phenylethanol-p-cinnamate | 284.33 | ||
| TCMBANKIN021672 | apoatropine | 1.alpha.H, atropate (ester), hydrobromide; Apoatropine, hydrobromide; 6020-16-2; DTXSID70635222; NSC-41796; 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate--hydrogen bromide (1/1); Benzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide, endo-; NSC41796; Atropamine | C17H21NO2 | 271.35 | CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
| TCMBANKIN022282 | Datumetelin | datumetelin | 468.69 | CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C | |
| TCMBANKIN022858 | (S)-tropic acid | (2S)-3-hydroxy-2-phenyl-propionic acid; (2S)-3-hydroxy-2-phenyl-propanoic acid; (2S)-3-hydroxy-2-phenylpropanoic acid; CHEBI:30766 | C9H10O3 | 166.17 | C1=CC=C(C=C1)C(CO)C(=O)O |
| TCMBANKIN023586 | Meteloidine | meteloidine | C13H21NO4 | 255.31 | CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)O)O |
| TCMBANKIN024164 | Datuarmeteloside C_qt | 486.66 | |||
| TCMBANKIN024361 | 3-O-β-D-glueopyranosyl | 7-O-α-L-ramnoPyranosyl-KaemPfero1 | 596.54 | ||
| TCMBANKIN024495 | Phenethyl alcohol-O-β-D-glucopyranosyl-(2→1)-O-β-D-glucopyranoside | 446.5 | |||
| TCMBANKIN024742 | p-hydroxyphenethyl-p-hydroxybenzoate | 258.29 | |||
| TCMBANKIN024975 | Daturameteloside E_qt | Daturameteloside D_qt | 488.68 | ||
| TCMBANKIN025052 | Daturameteline L | 566.76 | |||
| TCMBANKIN025130 | Daturametelin A_qt | 438.66 | |||
| TCMBANKIN025283 | Daturameteline F | 518.71 | |||
| TCMBANKIN026937 | 7-O-α-L-rhamnopyranosyl-Kaempferol | C21H20O10 | 432.38 | ||
| TCMBANKIN027040 | anisodamine | BC209832; AKOS015962158; Anisodamine | C17H23NO4 | 305.37 | CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3 |
| TCMBANKIN027442 | Guaiaeol-O-β-D-diglucopyranoside | 448.47 | |||
| TCMBANKIN027730 | hyoscyamine | Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, sulfate (2:1) (salt); Hyoscyamine sulfate anhydrous; Hyoscyamine sulfate (2:1) (salt); Hyoscyamine sulphate; C17H23NO3.H2O4S; Hyoscyamine Sulfate [USP]; Egazil; SCHEMBL34273; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-tropate (ester), sulfate (2:1); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-, sulfate (2:1) (salt); Hyoscyamine Sulfate (anhydrous); EINECS 210-644-6; Nulev; VJFQPODMEGSXHC-PGQIENJJSA-N; Levsin sulfate; LS-158068; Hyoscyamine sulfate (2:1); Hyoscyamine sulfate; TL8004024; CHEMBL1697729 | C17H23NO3 | 289.4 g/mol | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
| TCMBANKIN027739 | (1R,2R,5R,6S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-(methoxymethyl)-5-methyl-4,8-dioxabicyclo[3.3.1]nonan-7-one | (1R,2R,5R,6S)-2-[(8S,9S,10R,13S,14S,17R)-1-keto-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-(methoxymethyl)-5-methyl-4,8-dioxabicyclo[3.3.1]nonan-7-one | 468.69 | ||
| TCMBANKIN027779 | withanolide D | withanolide d | C28H38O6 | 470.6 | CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)C |
| TCMBANKIN028159 | Daturameteline N | Daturameteloside N_qt | 258.35 | ||
| TCMBANKIN028719 | Daturameteloside N | 420.51 | |||
| TCMBANKIN028987 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chromone | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-chromen-4-one | 284.28 | ||
| TCMBANKIN029199 | Daturameteloside J | 652.86 | |||
| TCMBANKIN029760 | litorin | (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]am; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]amino]-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-propan; 55749-97-8; Litorine; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-(benzyl)-2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]amino]-2-keto-ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-2-methylpropyl]amino]-1-methyl-2-oxoethyl]a; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]; Ranatesin, 2-de-L-valine-3-de-L-proline- | C51H68N14O11S | 1085.24 | CC(C)C(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5 |
| TCMBANKIN029820 | 7一O一α-L一ramnopyranosyl一KaempferoL | 3-O-β-D-glueopyranosyl(1→2)-glueopyranosyl | 758.7 | ||
| TCMBANKIN029987 | Daturameteloside I | 636.86 | |||
| TCMBANKIN031158 | Datuarmeteline H | 488.68 | |||
| TCMBANKIN031180 | 7-O-β-D-glueopyranosyl-Kaempferol | 3-O-β-D-glueopyranosyl(l→2)glueopyranosyl | 756.73 | ||
| TCMBANKIN031507 | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate | (E)-2-methylbut-2-enoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester | C13H21NO2 | 223.31 | |
| TCMBANKIN031643 | scopolamine | Scopolamine; SCHEMBL14973563; l-Scopolamine-hydrobromide; BSPBio_000953; 1-.alpha.-H, 6-.beta.,7-.beta.-epoxy-,(-)-tropate (ester), hydrobromide; Tranaxine; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; SMP1_000270; Scopolamine hydrobromide; AIDS-002711; Hyoscine hydrobromide; SCHEMBL180182; NSC61806 (HBR); Scopamin; Sereen; Scopolammonium bromide; nchembio.78-comp19; (-)-Scopolamine hydrobromide; Prestwick3_000877; Euscopol; (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate; AIDS002711; Isoscopil; Hysco; SCOPOLAMINE BROMIDE; l-Hyoscine hydrobromide; 114-49-8 (HBR); [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester; NSC-61806; Beldavrin; Tropane alkaloid; 1.alpha.H, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester), hydrobromide; Scopolaminium bromide; Scopos; Kwells; MLS000758270; Benzeneacetic acid; CHEBI:16794; WLN: T C356 A AN DOTJ A1 HOVYR & 1Q & EH; Benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-; 114-49-8; NSC61806; Hyoscinehydrobromide; 6b,7b-Epoxy-1a H,5a H-tropan-3a-ol (-)-tropate (ester) hydrobromide; (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate; BPBio1_001049; 6533-68-2 (HBR, TRIHYDRATE); Hyoscine bromide | C17H21NO4 | 303.35 g/mol | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
| TCMBANKIN031746 | Daturameteloside F_qt | 504.68 | |||
| TCMBANKIN032897 | 12-Deoxywithastramonolide | C28H38O6 | 470.6 g/mol | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)CO | |
| TCMBANKIN033483 | Datuarmeteline C | 520.73 | |||
| TCMBANKIN033716 | Datuarmeteline E | Datuarmeteline D | 490.7 | ||
| TCMBANKIN034499 | Datuarmeteloside A_qt | 488.68 | |||
| TCMBANKIN034781 | Daturameteloside H_qt | 490.7 | |||
| TCMBANKIN034809 | apohyoscine | aposcopolamine | C17H19NO3 | 285.34 | CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
| TCMBANKIN035535 | (6R)-6-[(1R)-2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-1-keto-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-3-methylol-5,6-dihydropyran-2-one | (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one; (6R)-6-[(1R)-1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one | 454.66 | ||
| TCMBANKIN035711 | Daturameteloside H | 652.86 | |||
| TCMBANKIN036591 | Withametelin G | C28H38O7 | 486.6 | ||
| TCMBANKIN048200 | hypaconitine | Hypaconitine; aconitine alkaloids | C33H45NO10 | 616 | C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])( O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])C1([H])[H] |
| TCMBANKIN057916 | MCT | NSC 17489; M34200_ALDRICH; p-Methylcatechol; BRN 0636512; Homocatechol; Homopyrocatechol; AIDS002963; AIDS-002963; 4-Methylpyrocatechol; 3,4-Dihydroxytoluene; Pyrocatechol, 4-methyl-; 4-Methyl-1,2-benzenediol; 452-86-8; NSC17489; Toluene-3,4-diol; 4-Methylcatechol; 4-Methyl-1,2-dihydroxybenzene; ZINC00002500; InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H; CHEBI:17254; 53480_FLUKA; EINECS 207-214-5; 1,2-Benzenediol, 4-methyl- (9CI); C06730; SMR000471857; p-Methylpyrocatechol; 1,2-Benzenediol, 4-methyl-; c0126; 1,2-Dihydroxy-4-methylbenzene; CCRIS 3333; 4-methylbenzene-1,2-diol; MLS001066329 | C7H8O2 | 124.14 | C(=O)([O-])[O-].[Ca+2] |
| 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 |
| TCMBANKIN058218 | KaemPferol-3 | kaempferol-3,7-diglucoside; 7-O-diglucoside | C27H30O16 | 610.52 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| TCMBANKIN058252 | tyramine | AIDS018687; 4-(2-aminoethyl)phenol; p-.beta.-Aminoethylphenol; NINDS_000918; Spectrum2_000738; Spectrum3_000693; Phenol, p-(2-aminoethyl)-; HSDB 2132; tyraminium cation; to_000085; 2-(4-hydroxyphenyl)ethylammonium; Tenosin-Wirkstoff; tyraminium(1+); Spectrum5_000501; Lopac-T-2879; 4-Hydroxyphenethylamine; NSC249188; InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H; BSPBio_002445; SMR000059295; Oprea1_294339; SGCUT00017; AC1NRWHX; KBio2_004261; Uteramine; BB_NC-1362; 2-(4-hydroxyphenyl)ethylazanium; 2-(4-Hydroxyphenyl)ethylamine; SPBio_000696; 3bra; Phenethylamine, p-hydroxy-; Spectrum4_001801; NCGC00063825-05; BRN 1099914; 4-Hydroxy-.beta.-phenylethylamine; 4-Hydroxyphenethylamine ((tyramine); 2-(p-Hydroxyphenyl)ethylamine; 93810_FLUKA; KBio1_000918; 51-67-2 (FREE BASE); NSC 249188; NCGC00063825-04; p-Hydroxy-.beta.-phenethylamine; NCGC00016011-01; 59880-97-6 (HCL); BPBio1_001394; ZB000512; 4-(2-Aminoethyl)phenol; KBioSS_001693; p-Hydroxyphenylethylamine; DivK1c_000918; p-Hydroxyphenethylamine; p-beta-Aminoethylphenol; NCGC00063825-07; .alpha.-(4-Hydroxyphenyl)-.beta.-aminoethane; IDI1_000918; Benzeneethanamine, 4-hydroxy-; tyraminium; WLN: Z2R DQ; beta-Hydroxyphenylethylamine; A828724; alpha-(4-Hydroxyphenyl)-beta-aminoethane; KBio2_001693; KBio3_001665; p-Tyramine; 4-Hydroxyphenylethylamine; T90344_ALDRICH; Tocosine; KBio2_006829; MLS000079096; Phenol, 4-(2-aminoethyl)-; EINECS 200-115-8; BDBM50067723; 2-(4-hydroxyphenyl)ethanaminium; Tyrosamine; .beta.-(4-Hydroxyphenyl)ethylamine; C00483; Biomol-NT_000075; Tyramine; Systogene; 4-13-00-01788 (Beilstein Handbook Reference); p-(2-Aminoethyl)phenol; 51-67-2; 2-(4-Hydroxy-phenyl)-ethyl-ammonium; Spectrum_001213; Lopac0_001136; NCGC00063825-08; CJ-00085; CHEBI:15760; CHEBI:327995; KBioGR_002405; SPECTRUM210400; LS-189905; (4-hydroxyphenethyl)ammonium; AIDS-018687; Tyramin; 4-Hydroxyphenethylaminium | C8H11NO | 137.18 | C1=CC(=CC=C1CCN)O |
| TCMBANKIN058255 | Tyrosol | NSC 59876; 4-Hydroxybenzeneethanol; P-HYDROXYPHENETHYL ALCOHOL; NSC59876; tyrosol; 56105_FLUKA; Benzeneethanol, 4-hydroxy-; 2-(4-Hydroxyphenyl)ethanol; 4-Hydroxyphenethyl alcohol; 2-(P-HYDROXYPHENYL)ETHANOL; ZINC00164581; SB 01196; 4-(2-hydroxyethyl)phenol; InChI=1/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H; EINECS 207-930-8; 4-Hydroxyphenylethanol; CHEBI:1879; 501-94-0; 188255_ALDRICH; 79058_FLUKA; C06044; 2-(4-hydroxyphenyl)-ethanol; 4-hydroxyphenethyl alcohol; p-hydroxyphenylethanol; p-hydroxyphenethyl alcohol; 2-(4-hydroxyphenyl)ethanol; p-hydroxyphenylethyl alcohol | C8H10O2 | 138.16 g/mol | C1=CC(=CC=C1CCO)O |
| TCMBANKIN058355 | Aromatic alcohol | NSC 8044; Aromatic primary alcohol; HSDB 46; alpha-hydroxytoluene; benzyl alcohol; AIDS009274; AIDS-009274; CCRIS 2081; Alcohol bencilico [INN-Spanish]; (Hydroxymethyl)benzene; W213705_ALDRICH; AI3-01680; FEMA No. 2137; 4-06-00-02222 (Beilstein Handbook Reference); Hydroxytoluene; benzenemethanol; Benzyl alcohol (JP15/NF/INN); 24122_RIEDEL; 442481_SUPELCO; Phenolcarbinol; NCGC00091865-01; InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H; Euxyl K 100; .alpha.-Toluenol; BENZYL-ALCOHOL; Caswell No. 081F; BRN 0878307; Benzoyl alcohol; C00556; Benzal alcohol; 402834_SIAL; 100-51-6; 1336-27-2; LS-307; Phenylcarbinolum; Methanol, phenyl-; 305197_ALDRICH; NSC8044; c0278; Benzyl alcohol (natural); 185532-71-2; Benzenecarbinol; hydroxymethylbenzene; C03485; Alcool benzilico [DCIT]; NCI-C06111; TOLUENE,ALPHA-HYDROXY; 108006_ALDRICH; Benzylalkohol; alpha-Toluenol; 13160_FLUKA; Benzyl alcohol [USAN:INN:JAN]; EINECS 202-859-9; CHEBI:17987; Alcoholum benzylicum [INN-Latin]; EPA Pesticide Chemical Code 009502; phenylcarbinol; 34460_RIEDEL; .alpha.-Hydroxytoluene; Benzylicum; D00077; W213713_ALDRICH; alcoholum benzylicum; benzylalcohol; phenylmethanol; Phenylmethyl alcohol; benzylic alcohol; Alcool benzylique; Alcool benzylique [INN-French];benzyl alcohol;WLN: Q1R | C7H8O | 108.14 g/mol | C1=CC=C(C=C1)CO |
| TCMBANKIN058401 | Norharman | 244-63-3; BSPBio_002322; ZINC00066039; SMR000058207; KBio3_001542; BRN 0128414; Carbazoline; KBio2_001612; InChI=1/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13; 9H-beta-carboline; AIDS109050; 5-23-08-00220 (Beilstein Handbook Reference); norharman; Norharmane; EINECS 205-959-0; 9H-Pyrido[3,4-B]indole; Prestwick_363; NSC84417; AG-670/31510009; KBio2_006748; .beta.-Carboline; MLS000069651; Spectrum4_001915; Spectrum2_000588; AIDS-109050; Spectrum_001132; 9H-$b-carboline; SMP2_000349; NCIOpen2_001217; KBioSS_001612; 2,9-Diazafluorene; Spectrum5_000630; KBio2_004180; SDCCGMLS-0003278.P003; Carbazoline (VAN); 2-Azacarbazole; CCRIS 6915; ST5307983; Spectrum3_000741; SPBio_000436; NSC 84417; NCGC00021302-03; N6252_SIGMA; KBioGR_002537; WLN: T B656 EN HMJ;beta-carboline | C11H8N2 | 168.19 | C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 |
| TCMBANKIN058934 | p-hydroxyacetophenone | p-hydroxy-acetophenone; 4'-hydroxyacetophenone; 4-hydroxyacetophenone; Piceol; para-hydroxy-acetophenone; 4′ -Hydroxyacetophenone; c0694; Acetophenone,4'-hydroxy-; C10700; (4-Hydroxyphenyl)ethan-1-one; Ethanone,1-(4-hydroxyphenyl)-; Phenol,p-acetyl-; AB-131/40179700; 99-93-4; p-Hydroxyphenyl methyl ketone; Acetophenone,p-hydroxy-; 4-Hydroksyacetofenol [Polish]; NSC 3698; 1-(4-Hydroxyphenyl)ethanone; AI3-12133; Usaf kf-15; NSC3698; EINECS 202-802-8; p-Oxyacetophenone; WLN: QR DV1; 54180_FLUKA; p-Hydroxyacetophenone; InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H; 4'-Hydroxyacetophenone; AIDS026793; 1-(4-Hydroxy-phenyl)-ethanone; HYDROXYACETOPHENONE,PARA; 4-Acetylphenol; p-Hydroxacetophenone; ST5213412; Acetophenone,4'-hydroxy- (8CI); 278564_ALDRICH; p-Acetylphenol; AIDS-026793; 4-Hydroxyacetophenone; Methyl-p-hydroxyphenyl ketone; ZINC00330136; Methyl p-hydroxyphenyl ketone; 4-hydroxy-acetophenone | C8H8O2 | 136.15 g/mol | CC(=O)C1=CC=C(C=C1)O |
| TCMBANKIN059396 | Tigloidine;3alpha-Tigloyloxytropane | tigloidine;3alpha-tigloyloxytropane | C13H21NO2 | 223.31g/mol | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| 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 | |
| TCMBANKIN059884 | blumenol a | C13H20O3 | 224.3 g/mol | CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C | |
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN061222 | Phenylpropyl acetate | C11H14O2 | 178.23 | CCCOC(=O)CC1=CC=CC=C1 | |
| TCMBANKIN061299 | atroscine | C17H21NO4 | 303.35 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | |
| TCMBANKIN061302 | Atropin;atropine | C17H23NO3 | 289.4 g/mol | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 | |
| TCMBANKIN061372 | 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]acetone | CHEBI:27920; 1,3-bis[(2R)-1-methylpyrrolidin-2-yl]propan-2-one; 1,3-bis[(2R)-1-methyl-2-pyrrolidinyl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one; 1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]acetone; Cuscohygrine | C13H24N2O | 224.34 | CN1CCCC1CC(=O)CC2CCCN2C |
| TCMBANKIN061403 | Abiol | AIDS209944; Methyl Parasept; H3647_SIGMA; Methyl p-hydroxybenzoate; BRN 0509801; FEMA Number 2710; p-Methoxycarbonylphenol; 4-HYDROXY-BENZOIC ACID METHYL ESTER; Benzoic acid, p-hydroxy-, methyl ester; Nipagin M; 4-Hydroxybenzoic acid, methyl ester; Nipagin; p-Oxybenzoesauremethylester [German]; D01400; Methyl chemosept; p-Hydroxybenzoic methyl ester; 4-(Methoxycarbonyl)phenol; Tegosept M; 4-10-00-00360 (Beilstein Handbook Reference); Aseptoform; H6654_SIAL; Methyl 4-hydroxybenzoate; Maseptol; BENZOIC ACID,4-HYDROXY,METHYL ESTER; AI3-01336; NCGC00159376-02; Methylparaben (TN); Metaben; Methyl-p-hydroxybenzoate; 99-76-3; Preserval M; Methylparaben (NF); Methyl parahydroxybenzoate (JP15); ST5214511; p-Hydroxybenzoic acid methyl ester; CCRIS 3946; Methyl ester of p-hydroxybenzoic acid; Methylparaben; p-Hydroxybenzoic acid, methyl ester; Caswell No. 573PP; FEMA No. 2710; NCGC00159376-03; p-Carbomethoxyphenol; Methylben; 47889_SUPELCO; NSC3827; ZINC00001712; AIDS-209944; Preserval; HSDB 1184; Metoxyde; Methaben; Moldex; WLN: QR DVO1; 4-Hydroxybenzoic acid methyl ester; InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H; Solbrol M; Methylparaben [USAN]; 54752_FLUKA; Benzoic acid, 4-hydroxy-, methyl ester; Methyl parahydroxybenzoate; component of Heb-Cort MC; 54750_FLUKA; NSC406127; Methyl Butex; Solbrol; Methyl paraben; Paridol; EINECS 202-785-7; M8911_SIAL; Methyl p-oxybenzoate; NSC 3827; W271004_ALDRICH; EPA Pesticide Chemical Code 061201; Methyl parahydroxybenzoate (TN); Methylester kyseliny p-hydroxybenzoove [Czech]; Septos; methyl p-hydroxybenzoate; 4-hydroxybenzoic acid methyl ester; methyl-4-hydroxybenzoate; Methyl paraben; methylparaben | C8H8O3 | 152.15 g/mol | COC(=O)C1=CC=C(C=C1)O |
| TCMBANKIN061404 | Clorius | AI3-00525; NSC 9394; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; 18344_FLUKA; benzoic acid methyl ester; AIDS-018029; Oil of Niobe; UN2938; ZINC00156868; AIDS018029; Methyl benzoate; CCRIS 5851; EINECS 202-259-7; Methyl benzoate [UN2938] [Keep away from food]; Essence of niobe; WLN: 1OVR; Clorius (VAN); Methylester kyseliny benzoove [Czech]; oniobe oil; 93-58-3; W268305_ALDRICH; FEMA No. 2683; Methyl benzenecarboxylate; 27614_RIEDEL; Benzoic acid, methyl ester; Methyl benzoate (natural); oxidate le; Methylbenzoate; NSC9394; Niobe oil; M29908_ALDRICH; W268313_ALDRICH; HSDB 5283; NCGC00091665-01;I01-2293; AC1L1O4G; MFCD00008421; Z19825577; benzoic acid methylester; Oxidate le; EC 202-259-7; NCGC00259381-01; UN2938; benzoic acid methyl; 102027-EP2371831A1; NCGC00256939-01; A844641; EINECS 202-259-7; NSC-9394; C20645; KSC487A6F; WLN: 1OVR; DSSTox_GSID_25572; Methyl benzenecarboxylate; Benzoic acid, methyl ester; Methyl benzoate, for synthesis, 98.0%; Methyl benzoate (natural); BB_SC-7167; UNII-6618K1VJ9T; AKOS000120640; Methylbenzoate; AN-42658; MCULE-3681534655; Methyl benzoate, analytical standard; AI3-00525; InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H; TC-060464; DSSTox_RID_77836; ANW-75136; ZINC156868; SMR001216584; 102027-EP2272817A1; Methyl ester of benzoic acid; UN 2938; (benzoyloxy)methyl; Methylester kyseliny benzoove; 93-58-3; 102027-EP2301983A1; CHEMBL16435; KB-54731; SC-18079; J-522592; F0001-2239; 1082718-77-1; Niobe oil; NCGC00091665-01; CTK3I7062; NSC 9394; ST51015549; ACT10969; Methyl benzoate, 99%; CAS-93-58-3; BBL010502; CCRIS 5851; DSSTox_CID_5572; Methyl benzoate [UN2938] [Keep away from food]; 102027-EP2287940A1; Methyl benzoate [UN2938] [Keep away from food]; B0074; SCHEMBL7200; Essence of niobe; FEMA No. 2683; FT-0622713; Methyl benzoate, natural, >=98%, FCC, FG; STK021498; SBB058212; Tox21_303198; MLS001050185; SCHEMBL4790973; Tox21_201832; DTXSID5025572; Methyl benzoate, >=99% (GC); RP20261; 6618K1VJ9T; Methyl benzoate, >=98%, FCC, FG; AK-98161; benzoic acid methyl ester; METHYL BENZOATE; KS-00000VMQ; CHEBI:72775; methyloxycarbonylbenzene; AJ-13898; SCHEMBL10330498; ST24031184; 102027-EP2289965A1; Clorius; TRA0079771; Methylester kyseliny benzoove [Czech]; RTC-060464; Oil of niobe; ZB006457; ACMC-20aioi; NCGC00091665-02; LS-1945; MolPort-001-783-861; Oniobe oil; 102027-EP2275469A1; NSC9394; QPJVMBTYPHYUOC-UHFFFAOYSA-N; HSDB 5283 | C8H8O2 | 136.15 | COC(=O)C1=CC=CC=C1 |
| TCMBANKIN061547 | (+)-isolariciresinol;(2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethylol-tetralin-6-ol;isolariciresinol | 26568-14-9; (6R,7R,8S)-8-(4-hydroxy-3-methoxy-phenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; 47477-27-0; (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol; (2R,3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-6-tetralinol; 2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S-(1alpha,2beta,3alpha))-; 548-29-8; Arbo 3; 1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol; (2R,3R,4S)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol | C20H24O6 | 360.4 | COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O |
| TCMBANKIN061611 | Pinoresinol 4-O-β-D- glucopyranoside;(+)-pinoresinolo-β-d-glucopyranoside;(?)-pinoresinol o-β-d-glucopyranoside;(+)-Pinoresinol-.beta.-D-glucoside;pinoresinol-4-O-glucoside;pinoresinol-beta-d-glucoside | (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol; AIDS-109049; AIDS109049; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol;Pinoresinol-β-D-glucoside | C26H32O11 | 520.5 g/mol | COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O |
| TCMBANKIN061868 | o-methoxy phenol | 2-methoxyphenol;guaiacol;Guasol;Catechol mono methyl ether; DSSTox_RID_77552; SMR000059155; ANW-13634; Anastil; WLN: QR BO1; 2-Methoxyphenol; Catechol monomethyl ether; Pyrocatechol monomethyl ether; CHEMBL13766; SCHEMBL21626; AI3-05615; DB-024854; 6JKA7MAH9C; Guajacol; Guaiacol (2-Methoxyphenol); 2-Methoxyphenol, 98% 250g; 2-methoxyphenol;; Methyl Catechol; CAS-90-05-1; Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material; HMS3372N11; Guaiacol [JAN:NF]; 2-Methoxy-Phenol; 3-hydroxy-2-methoxyphenyl; 2-methoxy phenol; SBB058681; a hydroxlyated aryl lignin fragment; NCGC00090827-06; Guaiacol, Vetec(TM) reagent grade, 98%; UNII-6JKA7MAH9C; D00117; 26638-03-9; 7519-EP2295426A1; 7519-EP2316470A2; Guaicol; Guaiacol, oxidation indicator; guaiacol; Creosote (wood); guiacol; SR-01000838056-3; 2-Hydroxyanisole; Creosote, beechwood; DTXSID0023113; 7519-EP2308857A1; CCRIS 6004; o-Hydroxyanisole; AJ-63992; ZINC13512224; SR-01000838056-2; EINECS 232-419-1; RCRA waste number U051; 7519-EP2305636A1; C01502; Beechwood creosote; 2-(methyloxy)phenol; 196981-EP2371803A1; SC-18105; A843426; HMS2233P04; LHGVFZTZFXWLCP-UHFFFAOYSA-N; Guaiacol, natural, >=99%, FG; HMS2089D18; AB00876226_07; Tox21_202990; MFCD00002185; Guaiastil; guaiacol (liquid) extra pure; bmse000436; NCGC00090827-03; CREOSOTE, WOOD; orthomethoxyphenol; AB00876226-06; 7519-EP2305683A1; 2-Methoxyphenol, Catechol monomethyl ether, Pyrocatechol monomethyl ether; NSC3815; Guaiacol [JAN]; methoxy phenol; AK114448; 6-methoxyphenol; Guajakol [Czech]; NCGC00090827-02; ST2410094; FEMA No. 2532; EC 201-964-7; CS-D1347; Methylcatachol; Guaiacol, SAJ first grade, >=98.0%; Creosote [JAN]; 7519-EP2308861A1; JZ3; STL281868; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; o-Guiacol; HSDB 1979; NCGC00090827-01; SR-01000838056; M0121; 7519-EP2316832A1; DSSTox_CID_3113; o-methoxy-Phenol; Guaiacol (natural); Tox21_400004; Guaiacol, European Pharmacopoeia (EP) Reference Standard; ortho-Guaiacol; Guajakol; Phenol, 2-methoxy-; PS-3252; Guaicolina; ACMC-209784; EBD2205193; NSC-760376; Pyrocatechol monomethyl ether; 7519-EP2314584A1; D02JUW; NSC760376; C15572; AN-17339; 7519-EP2311839A1; Phenol, o-methoxy-; Wood creosote; 2-Methoxyphenol; Creosote; Tox21_111031; 7519-EP2314589A1; AB1001888; ortho-methoxyphenol; CCG-214035; bmse010027; Creosote (wood tar); AC1Q46B5; I01-6054; 1-Hydroxy-2-methoxybenzene; o--methoxyphenol; TR-028311; LS-1906; NCGC00090827-07; 7519-EP2316837A1; 7519-EP2316833A1; EINECS 201-964-7; BDBM50240369; 196981-EP2269977A2; KS-00000KSX; 1990/5/1; Guajol; AC1L19AA; ST50214385; 7519-EP2295427A1; o-Guaiacol; CAS-8021-39-4; Guasol; HSDB 4241; MLS001055375; NCGC00090827-04; 8021-39-4; RTR-028311; ghl.PD_Mitscher_leg0.900; DSSTox_RID_76880; Pyroguaiac acid; MolPort-000-871-969; NCGC00090827-05; UNII-3JYG22FD73; Beechwood creosote (Fagus spp.); Creodon (TN); Pharmakon1600-01506165; Hydroxyanisole; Nat.Guaiacol; F2173-0425; 2-methoxyl-4-vinylphenol; O-Methyl catechol; o-Methoxyphenol; Creodon; CTK1A4914; KB-30331; Guaiacol (JAN); NCGC00258688-01; Pyrocatechol methyl ester; DB11359; 7519-EP2311821A1; Methylcatechol; AKOS000118831; Guaiacol, puriss., 99%; 3JYG22FD73; NSC 3815; NCGC00260535-01; Catechol monomethyl ether; STR03604; Guaiacol, United States Pharmacopeia (USP) Reference Standard; HMS3715E11; 1- hydroxy-2-methoxybenzene; KSC204S1J; 7519-EP2292227A2; DSSTox_GSID_24853; 196981-EP2377843A1; FT-0626815; NSC-3815; MCULE-5627336368; Q-100002; CCRIS 2943; 2-methoxyphenol (guaiacol); CHEBI:28591; DSSTox_GSID_23113; Phenol, methoxy-; Tox21_201136;HSDB 4241; 90-05-1; Anastil; 8021-39-4; Guaicolina; ZINC00001521; WLN: QR BO1; ghl.PD_Mitscher_leg0.900; Pyrocatechol monomethyl ether; 50880_FLUKA; AI3-05615; Pyroguaiac acid; Guaiastil; Methoxyphenol; AIDS-107096; NCGC00090827-03; CREOSOTE, WOOD; Guajacol; Creodon (TN); NSC3815; Guaiacol [JAN]; C15572; Creodon; o-Methoxyphenol; 2-Methoxyphenol; Guajakol [Czech]; O-Methyl catechol; Phenol, o-methoxy-; NCGC00090827-02; Guaiacol (JAN); W253200_ALDRICH; D00117; FEMA No. 2532; Pyrocatechol methyl ester; Methylcatechol; 26638-03-9; Guaicol; CPD-400; NSC 3815; InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H; guaiacol; NCGC00090827-01; Catechol monomethyl ether; G5502_SIGMA; ST5214385; 1-Hydroxy-2-methoxybenzene; 2-Hydroxyanisole; AIDS107096; o-Hydroxyanisole; Guaiacol (natural); EINECS 201-964-7; Phenol, 2-methoxy-; Guajol; CCRIS 2943; C01502; o-Guaiacol; CHEBI:28591; Phenol, methoxy- | C7H8O2 | 124.14 g/mol | COC1=CC=CC=C1O |
植物对应的疾病
| 疾病ID | 病名 | 疾病类型 | MeSH | 参考文献 |
|---|
植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
|---|
滇ICP备16009434号-1 |
Dai SX Lab