CUE
Summary
| Name: | Coumestrol |
| Synonyms: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
| Formula: | C15 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 268.221 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
| OpenEye OEToolkits | 1.7.6 | 3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23 |
| InChI | InChI | 1.03 | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
| InChIKey | InChI | 1.03 | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O |
