Identification

PhytoHub ID
PHUB000870
Name
Chrysin
Systematic Name
Not Available
Synonyms
  • 5,7-Dihydroxyflavone
CAS Number
Not Available
Average Mass
254.241
Monoisotopic Mass
254.057908802
Chemical Formula
C15H10O4
IUPAC Name
5,7-dihydroxy-2-phenyl-4H-chromen-4-one
InChI Key
RTIXKCRFFJGDFG-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES
OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.05e-01 g/l
LogS (ALOGPS)
-3.38
LogP (ALOGPS)
3.44
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.76
Refractivity
70.933
Polarizability
25.727745149733636
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.382203662884746
pKa (strongest acidic)
6.577777051084265
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
Flavones
Direct Parent Name
Flavones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations
["7-hydroxyflavonol", "Flavones and Flavonols", "dihydroxyflavone", "flavones"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-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", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Inter-Individual Variations in Metabolism

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