| Phytochemical Name : Gambirine |
| PCNDIDG0013 |
| Pubchem CID : 3036945 |
| Molecular formula: C22H28N2O4 |
| Canonical SMILES : CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)O |
Synonymes : Gambirine|QRE9D4HPH8|29472-77-3|CHEMBL5072247|methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-hydroxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate|Corynan-16-carboxylic acid, 16,17-didehydro-9-hydroxy-17-methoxy-, methyl ester, (16E)-|UNII-QRE9D4HPH8|BDBM50586501|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-HYDROXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-HYDROXY-alpha-(METHOXYMETHYLENE)-, METHYL ESTER, (alphaE,2S,3R,12BS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.400 |
| Log Po/w (XLOGP3) : 3.080 |
| Log Po/w (WLOGP) : 2.820 |
| Log Po/w (MLOGP) : 1.800 |
| Log Po/w (SILICOS-IT) : 3.170 |
| Consensus Log Po/w : 2.850 |