| Phytochemical Name : Trijuganone B |
| PCNDIDT0098 |
| Pubchem CID : 124416 |
| Molecular formula: C18H16O3 |
| Canonical SMILES : CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C |
Synonymes : Trijuganone B|126979-84-8|1,2,15,16-Tetrahydrotanshiquinone|1,6-dimethyl-1,2,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione|1,2,8,9-Tetrahydro-1,6-dimethylphenantrho(1,2-b)furan-10,11-dione|DTXSID70925751|1,2,5,6-Tetrahydrotanshinone centn|1,2,8,9-Tetrahydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione|1,6-Dimethyl-1,2,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione|1,6-dimethyl-1H,2H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dione|Phenantrho(1,2-b)furan-10,11-dione, 1,2,8,9-tetrahydro-1,6-dimethyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.570 |
| Log Po/w (XLOGP3) : 2.550 |
| Log Po/w (WLOGP) : 3.180 |
| Log Po/w (MLOGP) : 2.050 |
| Log Po/w (SILICOS-IT) : 4.270 |
| Consensus Log Po/w : 2.920 |