| Phytochemical Name : Narceine |
| PCNDIDN0021 |
| Pubchem CID : 8564 |
| Molecular formula: C23H27NO8 |
| Canonical SMILES : CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
Synonymes : NARCEINE|Narcein|131-28-2|CHEBI:7480|C23H27NO8|EINECS 205-021-0|UNII-CTT09X2F1M|BRN 0371009|CTT09X2F1M|6-((6-(2-(Dimethylamino)ethyl)-2-methoxy-3,4-(methylenedioxy)phenyl)acetyl)-o-veratric acid|2,3-Dimethoxy-6-((6-(2-dimethylaminoethyl)-2-methoxy-3,4-methylendioxyphenyl)acetyl)benzosaeure|5-19-09-00051 (Beilstein Handbook Reference)|6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid|6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid|6-(2-(6-(2-(Dimethylamino)ethyl)-4-methoxybenzo[d][1,3]dioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid|Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-|o-Veratric acid, 6-((6-(2-(dimethylamino)ethyl)-2-methoxy-3,4-(methylenedioxy)phenyl)acetyl)-|o-Veratric acid, 6-[[6-[2-(dimethylamino)ethyl]-2-methoxy-3,4-(methylenedioxy)phenyl]acetyl]-|6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXYBENZOIC ACID|6-[[6-[2-(dimethylamino)ethyl]-2-methoxy-3,4-(methylenedioxy)phenyl]acetyl]-o-veratric acid|Benzoic acid, 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxy-|NARCEINE [MI]|NARCEINE [MART.]|NARCEINE [WHO-DD]|C09591|SCHEMBL24919|CHEMBL486305|DTXSID40156833|BDBM50480327|C23-H27-N-O8|NIH 10760|BENZOIC ACID,6-[2-[6-[2-(DIMETHYLAMINO)ETHYL]-4-METHOXY-1,3-BENZODIOXOL-5-YL]ACETYL]-2,3-DIMETHOXY-|LS-162042|FT-0631763|Q907355|6-((6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoic acid #|6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid|6-[[6-[2-(Dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid, 9CI|6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.390 |
| Log Po/w (XLOGP3) : 0.470 |
| Log Po/w (WLOGP) : 2.670 |
| Log Po/w (MLOGP) : 1.050 |
| Log Po/w (SILICOS-IT) : 3.780 |
| Consensus Log Po/w : 2.270 |