| Phytochemical Name : Corynantheine |
| PCNDIDC0252 |
| Pubchem CID : 3037997 |
| Molecular formula: C22H26N2O3 |
| Canonical SMILES : COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
Synonymes : Corynantheine|Hirsuteine|18904-54-6|(+)-Corynantheine|UNII-ALO105K75L|ALO105K75L|CHEMBL4216525|4-25-00-01255 (Beilstein Handbook Reference)|methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate|BRN 0096586|17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-|CORYNANTHEINE [MI]|SCHEMBL13801175|CHEBI:141891|Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (16E)-|DTXSID401317727|(E)-16,17,18,19-tetradehydro-17-methoxy-17,18-secoyohimban-16-carboxylic acid methyl ester|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-|BDBM50531263|C17872|E87136|Q27273987|(.ALPHA.E,2S,3R,12BS)-3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID METHYL ESTER |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.440 |
| Log Po/w (XLOGP3) : 3.180 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : 2.270 |
| Log Po/w (SILICOS-IT) : 3.630 |
| Consensus Log Po/w : 3.080 |