| Phytochemical Name : Hirsutine |
| PCNDIDH0043 |
| Pubchem CID : 3037884 |
| Molecular formula: C22H28N2O3 |
| Canonical SMILES : CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=CC=CC=C34 |
Synonymes : Hirsutine|7729-23-9|UNII-W596OF93C7|W596OF93C7|CHEMBL327134|methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate|(E)-16,17-Didehydro-17-methoxy-17,18-seco-3-beta-yohimban-16-carboxylic acid methyl ester|Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3-beta,16E)-|17,18-Seco-3-beta-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-|Corynan-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (3.beta.,16E)-|17,18-Seco-3.beta.-yohimban-16-carboxylic acid, 16,17-didehydro-17-methoxy-, methyl ester, (E)-|DIHYDROTESTOSTERONEBENZOATE|hirsutine, (3beta,16E)-isomer|DTXSID801045724|HY-N2193|BDBM50396011|AKOS040760133|AC-34492|MS-25915|LS-144744|CS-0019501|C16972|Q15614855|17,18-SECO-3beta-YOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (E)-|76376-57-3|CORYNAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-, METHYL ESTER, (3beta,16E)-|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-, METHYL ESTER, (alphaE,2S,3R,12BR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.550 |
| Log Po/w (XLOGP3) : 3.440 |
| Log Po/w (WLOGP) : 3.110 |
| Log Po/w (MLOGP) : 2.350 |
| Log Po/w (SILICOS-IT) : 3.640 |
| Consensus Log Po/w : 3.220 |