| Phytochemical Name : Isotanshinone II |
| PCNDIDI0127 |
| Pubchem CID : 44425166 |
| Molecular formula: C18H12O3 |
| Canonical SMILES : CC1=C2C=CC3=C(C2=CC=C1)C4=C(C(=CO4)C)C(=O)C3=O |
Synonymes : Isotanshinone II|98249-39-9|3,8-dimethylnaphtho[2,1-g][1]benzofuran-4,5-dione|CHEMBL227131|BDBM50476408|AKOS040761912|3,8-dimethylphenanthro[4,3-b]furan-4,5-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.440 |
| Log Po/w (XLOGP3) : 3.690 |
| Log Po/w (WLOGP) : 4.100 |
| Log Po/w (MLOGP) : 1.820 |
| Log Po/w (SILICOS-IT) : 4.950 |
| Consensus Log Po/w : 3.400 |