3WL
Summary
| Name: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
| Synonyms: | Baicalein |
| Formula: | C15 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
| OpenEye OEToolkits | 1.9.2 | 5,6,7-tris(oxidanyl)-2-phenyl-chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H |
| InChIKey | InChI | 1.03 | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Oc1cc2OC(=CC(=O)c2c(O)c1O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2 |
