| Phytochemical Name : Sophocarpine |
| PCNDIDS0129 |
| Pubchem CID : 115269 |
| Molecular formula: C15H22N2O |
| Canonical SMILES : C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4 |
Synonymes : Sophocarpine|6483-15-4|145572-44-7|13,14-Didehydromatridin-15-one|Sophocarpine Monohydrate|(-)-Sophocarpine|Sophoridine hydrate|Matridin-15-one, 13,14-didehydro-|C15H22N2O|1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, 2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, (7aS,13aR,13bR,13cS)-|(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one|Sophocarpine (monohydrate)|13,14-Didehydromatrine|MLS006011788|CHEMBL377725|DTXSID90215126|HY-N0103|VFA57244|BBL029727|MFCD00274555|s2405|STK801894|AKOS016843687|CCG-266927|NCGC00160217-01|NCGC00160217-02|NCGC00160217-03|MS-23499|SMR004703481|LS-145656|CS-0007793|O0505|A884604|J-504147|Q-100741|(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.0?,?.0??,??]heptadec-4-en-6-one|(-)-(7aS,13aR,13bR,13cS)-2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one|(41S,7aS,13aR,13bR)-2,3,41,6,7,7a,8,13,13a,13b-Decahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one hydrat |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.610 |
| Log Po/w (XLOGP3) : 1.720 |
| Log Po/w (WLOGP) : 0.890 |
| Log Po/w (MLOGP) : 2.160 |
| Log Po/w (SILICOS-IT) : 0.940 |
| Consensus Log Po/w : 1.660 |