AGI
Summary
| Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
| Synonyms: | Apigenin |
| Formula: | C15 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 270.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.5.0 | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(OC(=C1)c2ccc(O)cc2)cc(O)cc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H |
| InChIKey | InChI | 1.03 | KZNIFHPLKGYRTM-UHFFFAOYSA-N |
