| Phytochemical Name : Selagine |
| PCNDIDS0072 |
| Pubchem CID : 1253 |
| Molecular formula: C15H18N2O |
| Canonical SMILES : CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3 |
Synonymes : Huperzine A|Huperzine-A|(+/-)-Huperzine A|120786-18-7|(-)-huperzine A|102518-79-6|Selagine|(-)-Selagine|Fordine|(+)-Huperzine A|1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one|103735-86-0|(+/-)Huperzine A|Acanthus ilicifolius Linn|D06XWB|D09CXQ|D0T2XX|D0U7MC|CBiol_001885|BSPBio_001143|KBioGR_000483|KBioSS_000483|Fordine; (+/-)-Huperzine A|(-)-Huperzine A-d5 (Major)|CHEMBL3184073|BDBM10441|KBio2_000483|KBio2_003051|KBio2_005619|KBio3_000885|KBio3_000886|Bio1_000171|Bio1_000660|Bio1_001149|Bio2_000402|Bio2_000882|HMS1990I05|5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-|BCP31534|LSM-1581|AKOS032962044|IDI1_002157|NCGC00163246-01|FT-0642946|Q27163539|5,9-methanocycloocta(b)pyridin-2(1h)-one,5-amino-11-ethylidene-5,6,9,10-tetrah|(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one|(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one|(1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one|(1R,9R)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7]trideca-2(7),3,10-trien-5-one|(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7]trideca-2(7),3,10-trien-5-one|(1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one|(5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one|1290113-17-5 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.410 |
| Log Po/w (XLOGP3) : 0.010 |
| Log Po/w (WLOGP) : 1.890 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 3.050 |
| Consensus Log Po/w : 1.910 |