| Phytochemical Name : Stepharine |
| PCNDIDS0157 |
| Pubchem CID : 98455 |
| Molecular formula: C18H19NO3 |
| Canonical SMILES : COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
Synonymes : Stepharine|2810-21-1|NSC135069|NSC 135069|10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one|AI3-34587|Stepharinine|CHEMBL1975436|SCHEMBL15220038|HMS1607I01|Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)-|Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)-|AKOS000618797|AKOS021983166|CCG-103003|NSC-135069|NCI60_000789|E87202|5',6'-dimethoxy-2',3',8',8a'-tetrahydro-1'{H},4{H}-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[{ij}]isoquinolin]-4-one|Spiro(2,5-cyclohexadien-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5,6-dimethoxy-, (R)-|Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.670 |
| Log Po/w (XLOGP3) : 2.070 |
| Log Po/w (WLOGP) : 1.520 |
| Log Po/w (MLOGP) : 1.810 |
| Log Po/w (SILICOS-IT) : 2.940 |
| Consensus Log Po/w : 2.200 |