2-(4-Hydroxyphenyl)chromenylium-5,7-diol
PubChem CID: 441647
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| Compound Synonyms | Apigenidin, 2-(4-hydroxyphenyl)chromenylium-5,7-diol, CHEBI:2772, AC1L9BF4, C08574, SCHEMBL5692415, CHEMBL1197890, CPD-7096, 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium chloride |
|---|---|
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Description | Apigenidin is a member of the class of compounds known as 7-hydroxyflavonoids. 7-hydroxyflavonoids are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Apigenidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigenidin can be found in corn, which makes apigenidin a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)chromenylium-5,7-diol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Hydroxyflavonoids |
| Molecular Formula | C15H11O4+ |
| Inchi Key | ZKMZBAABQFUXFE-UHFFFAOYSA-O |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromenium chloride |
| Compound Name | 2-(4-Hydroxyphenyl)chromenylium-5,7-diol |
| Kingdom | Organic compounds |
| Exact Mass | 255.066 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 255.066 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 255.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)/p+1 |
| Smiles | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-hydroxyflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all