| Phytochemical Name : Isoscopoletin |
| PCNDIDI0123 |
| Pubchem CID : 69894 |
| Molecular formula: C10H8O4 |
| Canonical SMILES : COC1=C(C=C2C=CC(=O)OC2=C1)O |
Synonymes : Isoscopoletin|776-86-3|6-Hydroxy-7-methoxycoumarin|6-hydroxy-7-methoxy-2H-chromen-2-one|7-Methoxyesculetin|6-hydroxy-7-methoxychromen-2-one|2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-|Isoscopoletine|CHEMBL390320|CHEBI:81484|6-Hydroxy-7-methoxy-2-benzopyrone|EINECS 212-282-4|6-hydroxy-7-methoxy-chromen-2-one|D0E0RW|Esculetin, 7-methyl ether|SCHEMBL2790887|DTXSID40228266|6-Hydroxy-7-Methoxycoumarin ,(S)|HY-N1365|BDBM50206008|MFCD00016976|s9255|AKOS016009381|CCG-208436|NCGC00163577-01|AC-35017|BS-48652|6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one|CS-0016774|FT-0722943|C18079|A865173|SR-05000002254|SR-05000002254-2|Q27155412 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.950 |
| Log Po/w (XLOGP3) : 1.380 |
| Log Po/w (WLOGP) : 1.510 |
| Log Po/w (MLOGP) : 0.760 |
| Log Po/w (SILICOS-IT) : 1.940 |
| Consensus Log Po/w : 1.510 |