| Phytochemical Name : Akuammicine |
| PCNDIDA0042 |
| Pubchem CID : 10314057 |
| Molecular formula: C20H22N2O2 |
| Canonical SMILES : CC=C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC |
Synonymes : Akuammicine|(-)-akuammicine|639-43-0|UNII-RG055O00BG|RG055O00BG|Methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate|CHEBI:70499|Curan-17-oic acid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-|methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate|AKUAMMICINE [MI]|AKUAMMICINE, (-)-|(19E)-2,16,19-20-Tetradehydrocuran-17-oic acid methyl ester|DTXSID30903914|methyl (19E)-2,16-didehydrocur-19-en-17-oate|Q15079655 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.250 |
| Log Po/w (XLOGP3) : 2.380 |
| Log Po/w (WLOGP) : 1.880 |
| Log Po/w (MLOGP) : 2.820 |
| Log Po/w (SILICOS-IT) : 2.790 |
| Consensus Log Po/w : 2.620 |