3',4,4',5,7-Pentahydroxyflavan
PubChem CID: 114505
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| Compound Synonyms | Luteoforol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-4,5,7-triol, 3',4,4',5,7-Pentahydroxyflavan, SCHEMBL489400, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol, 9CI, DTXSID70928348, EINECS 236-471-6, LMPK12020170, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro- |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Zea mays (sweet corn) and Sorghum vulgare (sorghum). Luteoforol is found in cereals and cereal products, fats and oils, and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 1.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Hydroxyflavonoids |
| Molecular Formula | C15H14O6 |
| Inchi Key | FSYDWKPCKNCRDI-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol, 9CI, 3-Deoxyleucocyanidin, Luteoforol, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol, 9ci |
| Substituent Name | Flavan-4-ol, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4-hydroxyflavonoid, 4'-hydroxyflavonoid, 3'-hydroxyflavonoid, Flavan, 1-benzopyran, Benzopyran, Chromane, Resorcinol, 1,2-diphenol, 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 | 3',4,4',5,7-Pentahydroxyflavan |
| Kingdom | Organic compounds |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2 |
| Smiles | C1C(C2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavan-4-ols |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all