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CHEBI:133667 - glycitein 4'-O-glucuronide
| Formula | C22H20O11 |
| Net Charge | 0 |
| Average Mass | 460.391 |
| Monoisotopic Mass | 460.10056 |
| SMILES | COc1cc2c(=O)c(-c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2cc1O |
| InChI | InChI=1S/C22H20O11/c1-30-15-6-11-14(7-13(15)23)31-8-12(16(11)24)9-2-4-10(5-3-9)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
| InChIKey | FXGSRMKCZRQRER-SXFAUFNYSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 1.14.14.14 (aromatase) inhibitor An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glycitein 4'-O-glucuronide (CHEBI:133667) has functional parent glycitein (CHEBI:34778) |
| glycitein 4'-O-glucuronide (CHEBI:133667) is a 7-hydroxyisoflavone (CHEBI:12256) |
| glycitein 4'-O-glucuronide (CHEBI:133667) is a glycosyloxyisoflavone (CHEBI:74630) |
| glycitein 4'-O-glucuronide (CHEBI:133667) is a methoxyisoflavone (CHEBI:38756) |
| glycitein 4'-O-glucuronide (CHEBI:133667) is a monosaccharide derivative (CHEBI:63367) |
| glycitein 4'-O-glucuronide (CHEBI:133667) is a β-D-glucosiduronic acid (CHEBI:15341) |
| IUPAC Name |
|---|
| 4-(7-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-3-yl)phenyl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| glycitein 4'-O-β-D-glucuronide | ChEBI |
| glycitein 4'-O-β-glucuronide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041740 | HMDB |