| Phytochemical Name : Scoparone |
| PCNDIDS0060 |
| Pubchem CID : 8417 |
| Molecular formula: C11H10O4 |
| Canonical SMILES : COC1=C(C=C2C(=C1)C=CC(=O)O2)OC |
Synonymes : Scoparone|120-08-1|6,7-DIMETHOXYCOUMARIN|6,7-Dimethylesculetin|Escoparone|Scoparon|Aesculetin dimethyl ether|6,7-Dimethoxy-2H-chromen-2-one|Esculetin dimethyl ether|6,7-Dimethoxy-2-benzopyrone|6,7-dimethoxychromen-2-one|Scopoletin methyl ether|6,7-Dimethoxy-Coumarin|o-Methylscopoletin|6,7-Dimethoxy-2H-1-benzopyran-2-one|o-Methylisoscopoletin|o,o-Dimethylesculetin|6,7-Dimethoxybenzopyran-2-one|2H-1-Benzopyran-2-one, 6,7-dimethoxy-|Dimethyl esculetin|Coumarin, 6,7-dimethoxy-|Esculetin 6,7-dimethyl ether|Benzopyran-2-one, 6,7-dimethoxy-|EINECS 204-369-0|BRN 0169572|UNII-H5841PDT4Y|CHEBI:9055|H5841PDT4Y|MFCD00006871|5-18-03-00204 (Beilstein Handbook Reference)|Scoparin?|Dimethylaesculetin|Scoparone,(S)|6,7-Dimethylcoumarine|SCOPARONE [MI]|SCOPARONE [INCI]|Maybridge4_003009|SCHEMBL240777|6,7-Dimethoxy-chromen-2-one|6,7-Dimethoxycoumarin, 98%|CHEMBL325864|MEGxp0_001422|ACon1_002079|6,7-Dimethoxy-Benzopyran-2-one|DTXSID10152640|HMS1529I17|BCP11533|HY-N0228|BDBM50361374|CCG-41207|s3613|STL193280|6,7-Dimethoxy-2H-chromen-2-one #|AKOS000277541|6,7-Dimethoxycoumarin pound>>Escoparone|AC-11197|AC-34006|BS-14810|LS-55182|Benzopyran-2-one, 6,7-dimethoxy- (9CI)|AM20020282|CS-0008271|FT-0603321|6,7-Dimethylesculetin, 6,7-Dimethoxycoumarin|A14856|C09311|Q-100099|SR-01000631300-1|BRD-K16835051-001-01-2|BRD-K16835051-001-02-0|Q15424761 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 1.710 |
| Log Po/w (WLOGP) : 1.810 |
| Log Po/w (MLOGP) : 1.050 |
| Log Po/w (SILICOS-IT) : 2.420 |
| Consensus Log Po/w : 1.840 |