| Phytochemical Name : Danshenol B |
| PCNDIDD0010 |
| Pubchem CID : 3083515 |
| Molecular formula: C22H26O4 |
| Canonical SMILES : CC1COC2=C1C(=O)C(C3=C2C=CC4=C3CCCC4(C)C)(CC(=O)C)O |
Synonymes : Danshenol B|189308-09-6|CHEMBL2261307|(1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-11-one|Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R,10S)-|Phenanthro(1,2-b)furan-11(2H)-one, 1,6,7,8,9,10-hexahydro-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-, (1R-trans)-|DTXSID80172335|BDBM50487949|AKOS040735481 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.920 |
| Log Po/w (XLOGP3) : 0.380 |
| Log Po/w (WLOGP) : 1.110 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 1.320 |
| Consensus Log Po/w : 1.300 |