| Phytochemical Name : Danshenol A |
| PCNDIDD0009 |
| Pubchem CID : 3083514 |
| Molecular formula: C21H20O4 |
| Canonical SMILES : CC1COC2=C1C(=O)C(C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O |
Synonymes : Danshenol A|189308-08-5|(1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one|CHEMBL2261306|Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-|Phenanthro(1,2-b)furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R-trans)-|Phenanthro[1,2-b]furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1R,10S)-|DTXSID20172334|BDBM50487908|AKOS040761566|HY-122917|CS-0090434|10-Acetonyl-10-hydroxy-1,6-dimethyl-1,2,10,11- tetrahydrophenanthro[1,2-b]furan-11-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.920 |
| Log Po/w (XLOGP3) : 6.340 |
| Log Po/w (WLOGP) : 5.450 |
| Log Po/w (MLOGP) : 3.550 |
| Log Po/w (SILICOS-IT) : 5.500 |
| Consensus Log Po/w : 5.150 |