2-(4-Hydroxyphenyl)chroman-4,5,7-triol
PubChem CID: 185795
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| Compound Synonyms | Apiferol, 2-(4-hydroxyphenyl)chroman-4,5,7-triol, 2-(4-hydroxyphenyl)-3,4-dihydro-2h-chromene-4,5,7-triol, SCHEMBL18397680, LMPK12020166, (2xi,4xi)-4,4',5,7-Tetrahydroxyflavan |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from cobs and silk of corn (Zea mays). (2xi,4xi)-4,4',5,7-Tetrahydroxyflavan is found in cereals and cereal products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 1.6 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Hydroxyflavonoids |
| Molecular Formula | C15H14O5 |
| Inchi Key | RPKUCYSGAXIESU-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4',5,7-Trihydroxy-4-flavanol, Apiforol |
| Substituent Name | Flavan-4-ol, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4-hydroxyflavonoid, 4'-hydroxyflavonoid, Flavan, 1-benzopyran, Benzopyran, Chromane, Resorcinol, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Secondary alcohol, Polyol, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 2-(4-Hydroxyphenyl)chroman-4,5,7-triol |
| Kingdom | Organic compounds |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2 |
| Smiles | C1C(C2=C(C=C(C=C2OC1C3=CC=C(C=C3)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all