| Phytochemical Name : Cleomiscosin C |
| PCNDIDC0203 |
| Pubchem CID : 11464176 |
| Molecular formula: C21H20O9 |
| Canonical SMILES : COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO |
Synonymes : Cleomiscosin C|84575-10-0|Aquillochin|(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one|CleomiscosinC|CHEMBL465491|SCHEMBL4545353|AKOS032948612 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 2.100 |
| Log Po/w (WLOGP) : 2.070 |
| Log Po/w (MLOGP) : 0.370 |
| Log Po/w (SILICOS-IT) : 2.800 |
| Consensus Log Po/w : 2.110 |