| Phytochemical Name : Decussine |
| PCNDIDD0025 |
| Pubchem CID : 156336 |
| Molecular formula: C20H19N3 |
| Canonical SMILES : CC1C2=C(C=CN=C2)C=C3C4=C(CCN3C)C5=CC=CC=C5N14 |
Synonymes : Decussine|75375-52-9|BRN 5603747|(R)-1,8-Dimethyl-1,2,3,8-tetrahydro-1,7b,10-triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene|17,13-Dimethyl-5,6-dihydro-7H,13H-pyrido(4',3':6,5)azepino(1,2,3-l,m)-beta-carboline|(R)-1,8-dimethyl-1,2,3,8-tetrahydro-1,7b,10-triazabenzo[5,6]cyclohepta[1,2,3-jk]fluorene|1,7b,10-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 1,2,3,8-tetrahydro-1,8-dimethyl-, (R)-|CHEMBL454319|DTXSID70226336|LS-154686|17,13-dimethyl-5,6-dihydro-7H,13H-pyrido(4',3':6,5)azepino(1,2,3,-1,m)-beta-carboline|(20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),12,14(19),15,17-octaene|7,11,13a-Triazabenzo(5,6)cyclohepta(1,2,3-jk)fluorene, 5,6,7,13-tetrahydro-7,13-dimethyl-, (R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.130 |
| Log Po/w (XLOGP3) : 2.530 |
| Log Po/w (WLOGP) : 1.740 |
| Log Po/w (MLOGP) : 2.040 |
| Log Po/w (SILICOS-IT) : 1.660 |
| Consensus Log Po/w : 2.220 |