| Phytochemical Name : Hirsuteine |
| PCNDIDH0042 |
| Pubchem CID : 3037151 |
| Molecular formula: C22H26N2O3 |
| Canonical SMILES : COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC |
Synonymes : Hirsuteine|35467-43-7|3-Epicorynantheine|delta(sup 18)-Hirsutine|18,19-Didehydrohirsutine|UNII-43X9C2G2W5|43X9C2G2W5|(3-beta,16E)-16,17,18,19-Tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester|Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16E)-|methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate|(3beta,16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester|Corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16E)-|CHEBI:80834|DTXSID201046112|HY-N2197|AKOS040760141|AC-34622|LS-55031|MS-25869|CS-0019505|C16971|Q15634135|CORYNAN-16-CARBOXYLIC ACID, 16,17,18,19-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (3.BETA.,16E)-|CORYNAN-16-CARBOXYLIC ACID, 16,17,18,19-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (3beta,16E)-|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,12BR)-|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,12BR)- |
| Structure | |
| 3D structure | 2D structure |
 |
| 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 |