16S
Summary
| Name: | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one |
| Synonyms: | 3',4'-Dihydroxyflavone |
| Formula: | C15 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 254.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-[3,4-bis(oxidanyl)phenyl]chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H |
| InChIKey | InChI | 1.03 | SRNPMQHYWVKBAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1O)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | Oc1ccc(cc1O)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O |
