| Phytochemical Name : Isocryptotanshinone |
| PCNDIDI0057 |
| Pubchem CID : 626608 |
| Molecular formula: C19H20O3 |
| Canonical SMILES : CC1COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C |
Synonymes : Isocryptotanshinone|22550-15-8|4,4,8-trimethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione|Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4,8,9-hexahydro-4,4,8-trimethyl-, ()-|1,2,3,4,8,9-Hexahydro-4,4,8-trimethylphenanthro[3,2-b]furan-7,11-dione|(8S)-4,4,8-trimethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione|4,4,8-Trimethyl-1,2,3,4,8,9-hexahydrophenanthro[3,2-b]furan-7,11-dione #|Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4,8,9-hexahydro-4,4,8-trimethyl-, (+)-|231289-58-0 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 4.260 |
| Log Po/w (WLOGP) : 3.600 |
| Log Po/w (MLOGP) : 2.360 |
| Log Po/w (SILICOS-IT) : 4.760 |
| Consensus Log Po/w : 3.570 |