| Phytochemical Name : Daphnoretin |
| PCNDIDD0014 |
| Pubchem CID : 5281406 |
| Molecular formula: C19H12O7 |
| Canonical SMILES : COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O |
Synonymes : Daphnoretin|2034-69-7|Thymelol|Dephnoretin|NSC 291852|NSC-291852|Dephnoretin;Thymelol|CHEBI:4324|COUMARIN, 7-HYDROXY-6-METHOXY-3,7'-OXYDI-|C19H12O7|BRN 1299325|1A7Q3KY3LH|2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-((2-oxo-2H-1-benzopyran-7-yl)oxy)-|CHEMBL508494|7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one|7-hydroxy-6-methoxy-3,7'-dicoumaryl ether|7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxy-chromen-2-one|7-hydroxy-6-methoxy-3-((2-oxo-2H-chromen-7-yl)oxy)-2H-chromen-2-one|2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-|SMR000156224|7-hydroxy-6-methoxy-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-2-one|UNII-1A7Q3KY3LH|TimTec1_001767|Oprea1_038414|MLS000574856|MLS000728531|MLS001048954|SCHEMBL13784417|DTXSID00174250|7-hydroxy-6-methoxy-3-(2-oxochromen-7-yloxy)chromen-2-one|HMS1539A07|HMS2270K03|HY-N0699|TNP00178|BDBM50241949|MFCD01082318|NSC291852|s3289|AKOS002134405|NCGC00017271-01|NCGC00017271-02|NCGC00142383-01|AC-34889|LS-55218|MS-25454|CS-0009716|FT-0697970|7-hydroxy-6-methoxy-3,7''-dicoumaryl ether|C09216|A879700|Q-100250|BRD-K81282485-001-01-3|Q15410902|2-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-7-one|1-benzoyl-6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}indoline|7-HYDROXY-6-METHOXY-3-((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)-2H-1-BENZOPYRAN-2-ONE|Coumarin, 7-hydroxy-6-methoxy-3,7'-oxydi-; 7-Hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran 7-yl)-oxy]-2H-1-benzopyran-2-one; Thymerol; Dephnoretin |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.370 |
| Log Po/w (XLOGP3) : 2.460 |
| Log Po/w (WLOGP) : 3.210 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 4.190 |
| Consensus Log Po/w : 3.060 |