| Phytochemical Name : Cularine |
| PCNDIDC0283 |
| Pubchem CID : 94150 |
| Molecular formula: C20H23NO4 |
| Canonical SMILES : CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC |
Synonymes : Cularine|(+)-Cularine|479-39-0|GHR9KA38RT|1H-(1)Benzoxepino(2,3,4-ij)isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)-|1H-[1]Benzoxepino[2,3,4-ij]isoquinoline, 2,3,12,12a-tetrahydro-6,9,10-trimethoxy-1-methyl-, (S)-|UNII-GHR9KA38RT|CHEBI:3958|DTXSID80963962|AKOS040745685|C09411|Q27106275|(10S)-5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene|(12AS)-2,3,12,12A-TETRAHYDRO-6,9,10-TRIMETHOXY-1-METHYL-1H-(1)BENZOXEPINO(2,3,4-IJ)ISOQUINOLINE|1H-(1)BENZOXEPINO(2,3,4-IJ)ISOQUINOLINE, 2,3,12,12A-TETRAHYDRO-6,9,10-TRIMETHOXY-1-METHYL-, (12AS)-|6,9,10-Trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline|6,9,10-Trimethoxy-1-methyl-2,3,12,12a-tetrahydro-1H-[1]benzoxepino[2,3,4-ij]isoquinoline #|899817-47-1 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.580 |
| Log Po/w (XLOGP3) : 3.300 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.250 |
| Log Po/w (SILICOS-IT) : 3.580 |
| Consensus Log Po/w : 3.120 |