Identification

PhytoHub ID
PHUB001880
Name
Tectochrysin
Systematic Name
Not Available
Synonyms
  • 5-hydroxy-7-methoxyflavone
CAS Number
520-28-5
Average Mass
268.268
Monoisotopic Mass
268.073558866
Chemical Formula
C16H12O4
IUPAC Name
5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one
InChI Key
IRZVHDLBAYNPCT-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
SMILES
COC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
5.22e-02 g/l
LogS (ALOGPS)
-3.71
LogP (ALOGPS)
3.71
Hydrogen Acceptors
4
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
55.760000000000005
Refractivity
75.41530000000003
Polarizability
27.813373607713622
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.745726102201756
pKa (strongest acidic)
7.3657161979522305
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

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
O-methylated flavonoids
Direct Parent Name
7-O-methylated flavonoids
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Benzene and substituted derivatives", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations
["Flavones and Flavonols", "flavones", "monohydroxyflavone", "monomethoxyflavone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-hydroxyflavonoid", "7-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Tart cherryFruit, Drupes PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Tectochrysin Tectochrysinratplasmaunchanged<1h20-50 nmol/LNo dataC16H12O4268.073558866 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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