| Phytochemical Name : methyl (Z)-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 |
| PCNDIDM0069 |
| Pubchem CID : 3000320 |
| Molecular formula: C22H26N2O3 |
| Canonical SMILES : COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
Synonymes : Corynantheine|Hirsuteine|BRN 0096586|17,18-Secoyohimban-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (E)-|D09CKI|SCHEMBL3084853|Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (16E)-|(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)-|AKOS037515116|methyl (Z)-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|LS-144745|(16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-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, (alphaE,2S,3R,12bS)-|methyl (Z)-2-[(2S,3R,12bS)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
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| 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 |