| Phytochemical Name : Medicagol |
| PCNDIDM0034 |
| Pubchem CID : 5319322 |
| Molecular formula: C16H8O6 |
| Canonical SMILES : C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O |
Synonymes : Medicagol|1983-72-8|UNII-5OBT39CCC9|5OBT39CCC9|3-Hydroxy-8,9-methylenedioxycoumestan|7-Hydroxy-11,12-methylenedioxycoumestan|7-hydroxy-11,12-(methylenedioxy)coumestan|16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one|DTXSID10173557|7-HYDROXY-5',6'-METHYLENEDIOXYBENZOFURANO(3',2':3,4)COUMARIN|6H-(1,3)Dioxolo(5,6)benzofuro(3.2-c)(1)benzopyran-6-one, 3-hydroxy-|7-Hydroxy-5',6'-methylenedioxybenzofurano[3',2':3,4]coumarin|MEDICAGOL [MI]|SCHEMBL74591|CHEMBL99941|DTXCID7096048|CHEBI:166608|HY-N2467|C16-H8-O6|LMPK12090025|MFCD00238635|AKOS032946033|AC-34504|CS-0022737|FT-0776904|Q15726060|3-Hydroxy-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-6-one|6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one, 3-hydroxy-|3-HYDROXY-6H-(1,3)DIOXOLO(4',5':5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE|3-Hydroxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]-benzopyran-6-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.430 |
| Log Po/w (XLOGP3) : 2.930 |
| Log Po/w (WLOGP) : 3.130 |
| Log Po/w (MLOGP) : 1.870 |
| Log Po/w (SILICOS-IT) : 3.230 |
| Consensus Log Po/w : 2.720 |