| Phytochemical Name : Himandrine |
| PCNDIDH0033 |
| Pubchem CID : 229901 |
| Molecular formula: C30H37NO6 |
| Canonical SMILES : CC1CCC2C3N1C45C6CCCC(C6C(C(=C4C2(CC5C3)O)C(=O)OC)OC(=O)C7=CC=CC=C7)OC |
Synonymes : HIMANDRINE|15610-97-6|NSC23971|NSC 23971|Himandridine, 13-deoxy-|methyl 7-(benzoyloxy)-5-hydroxy-8-methoxy-15-methyl-2,3,3a,4,5,7,7a,8,9,10,11,11a-dodecahydro-2,5,1-(butane[1,1,4]triyl)benzo[6,7]indeno[7a,1-b]pyrrole-6-carboxylate|DTXSID70935370|Himbosan-18-oic acid, 16-(benzoyloxy)-20-hydroxy-14-methoxy-, methyl ester, (14.alpha.,16.alpha.)-|NSC-23971|Himbosan-18-oic acid, methyl ester, (14.alpha.,16.alpha.)-|Methyl 16alpha-(benzoyloxy)-20-hydroxy-14alpha-methoxyhimbosan-18-oate|methyl 14-benzoyloxy-11-hydroxy-16-methoxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.430 |
| Log Po/w (XLOGP3) : 2.840 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 3.250 |
| Log Po/w (SILICOS-IT) : 2.810 |
| Consensus Log Po/w : 3.290 |