| Phytochemical Name : Himbadine |
| PCNDIDH0035 |
| Pubchem CID : 101306736 |
| Molecular formula: C21H31NO2 |
| Canonical SMILES : CC1CCC2C(N1C)CC3CC2(C4=CC(=O)C5CCCCC5C34)O |
Synonymes : Himbadine|24932-15-8|(1R,2R,3R,8S,12S,13S,16R,18S)-12-hydroxy-16,17-dimethyl-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icos-10-en-9-one|(4aS)-1,2,3,4,4abeta,7,7aalpha,8,9,10,11,11aalpha,12,13,13abeta,13balpha-Hexadecahydro-7-hydroxy-10beta,11-dimethyl-7alpha,13alpha-methano-5H-naphtho[2',1' |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.250 |
| Log Po/w (XLOGP3) : 2.700 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 3.170 |
| Log Po/w (SILICOS-IT) : 2.370 |
| Consensus Log Po/w : 2.860 |