| Phytochemical Name : Cleomiscosin A |
| PCNDIDC0202 |
| Pubchem CID : 442510 |
| Molecular formula: C20H18O8 |
| Canonical SMILES : COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O |
Synonymes : Cleomiscosin A|76948-72-6|CHEBI:3740|(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one|NSC 346197|1482512-83-3|CleomiscosinA|CHEMBL510091|SCHEMBL2727534|DTXSID701317390|BDA94872|HY-N3595|AKOS032948582|MS-26372|CS-0023911|C09922|Q27106181|(2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[2,3-f][1,4]benzodioxin-9-one|2alpha-(Hydroxymethyl)-3beta-(3-methoxy-4-hydroxyphenyl)-5-methoxy-2,3-dihydro-9H-pyrano[2,3-f]-1,4-benzodioxin-9-one|9H-pyrano[2,3-f]-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-, (2R,3R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.790 |
| Log Po/w (XLOGP3) : 2.120 |
| Log Po/w (WLOGP) : 2.060 |
| Log Po/w (MLOGP) : 0.660 |
| Log Po/w (SILICOS-IT) : 2.740 |
| Consensus Log Po/w : 2.070 |