| Phytochemical Name : Dan shen spiroketal lactone |
| PCNDIDD0008 |
| Pubchem CID : 127567 |
| Molecular formula: C17H16O3 |
| Canonical SMILES : CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
Synonymes : Dan shen spiroketal lactone|DS-Skl|Dan-shen spiroketallactone|(4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one|100414-80-0|Danshinspiroketallactone|DTXSID10905471|AKOS040736471|4',6-Dimethyl-1H-spiro[naphtho[1,2-c]furan-3,2'-oxolan]-1-one|Spiro(furan-2(3H),3'(1'H)-naphtho(1,2-c)furan)-1'-one, 4,5-dihydro-4,6'-dimethyl-, (2S-trans)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.880 |
| Log Po/w (XLOGP3) : 0.740 |
| Log Po/w (WLOGP) : 0.440 |
| Log Po/w (MLOGP) : -1.580 |
| Log Po/w (SILICOS-IT) : -0.570 |
| Consensus Log Po/w : -0.370 |