7,4'-Dihydroxyflavone
precursor
Showing entry for 7,4'-Dihydroxyflavone
Identification
- PhytoHub ID
- PHUB000860
- Name
- 7,4'-Dihydroxyflavone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 254.241
- Monoisotopic Mass
- 254.057908802
- Chemical Formula
- C15H10O4
- IUPAC Name
- 7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- LCAWNFIFMLXZPQ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
- SMILES
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.29e-02 g/l
- LogS (ALOGPS)
- -3.49
- LogP (ALOGPS)
- 3.34
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 66.76
- Refractivity
- 70.933
- Polarizability
- 25.876914790292606
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.37146336669763
- pKa (strongest acidic)
- 6.503358652785241
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 29503
- PubChem
- 5282073
- Chemistry Dashboard
- DTXSID50176365
- KNApSAcK
- C00003800
- MetaboLights
- MTBLC29503
- Phenol-Explorer
- 264
- FooDB (Compounds)
- FDB001536
- PeakForestCompound
- 000660
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavones
- Direct Parent Name
- Flavones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "4'-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives"]
- External Descriptor Annotations
- ["Flavones and Flavonols", "dihydroxyflavone", "flavones"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4'-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
7,4'-Dihydroxyflavone | 7,3',4'-Trihydroxyflavone | rat | plasma, urine | gut microbiota metabolite | 1h-3h | 20-50 nmol/L | <1% | C15H10O5 | 270.052823422 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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