Apigenin 7-glucuronide
PubChem CID: 5387370
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| Compound Synonyms | Apigenin 7-glucuronide, 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid, apigenin-7-O-beta-D-glucuronide, NSC622811, Apigenin 7-O-, A-glucuronide, CHEMBL1980748, SCHEMBL12955450, CHEBI:182306, BCP10282, NSC-622811, NCI60_006773, Apigenin 7-glucuronide pound>>Apigenin 7-O-b-glucuronide |
|---|---|
| Topological Polar Surface Area | 183.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Inchi Key | JBFOLLJCGUCDQP-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4',5,7-Trihydroxyflavone, 7-O-b-D-Glucuronopyranoside, Apigenin 7-glucuronide |
| Heavy Atom Count | 32.0 |
| Compound Name | Apigenin 7-glucuronide |
| Description | Apigenin 7-glucuronide is a member of the class of compounds known as flavonoid-7-o-glucuronides. Flavonoid-7-o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Apigenin 7-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Apigenin 7-glucuronide can be found in common sage and dill, which makes apigenin 7-glucuronide a potential biomarker for the consumption of these food products. |
| Exact Mass | 446.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.085 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 746.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 446.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29) |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| Xlogp | 0.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C21H18O11 |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all