| Phytochemical Name : Isotanshinone I |
| PCNDIDI0126 |
| Pubchem CID : 623940 |
| Molecular formula: C18H12O3 |
| Canonical SMILES : CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C |
Synonymes : Isotanshinone I|20958-17-2|4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione|4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione|4,8-DIMETHYLNAPHTHO(2,1-F)(1)BENZOFURAN-7,11-DIONE|ZP10KC083W|SCHEMBL16023778|HY-N6649|AKOS040733471|CS-0067962|4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione #|Phenanthro[3,2-b]furan-7,11-dione, 4,8-dimethyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.520 |
| Log Po/w (XLOGP3) : 4.250 |
| Log Po/w (WLOGP) : 3.830 |
| Log Po/w (MLOGP) : 1.820 |
| Log Po/w (SILICOS-IT) : 4.950 |
| Consensus Log Po/w : 3.470 |