precursor

Showing entry for Tricin

Identification

PhytoHub ID
PHUB000910
Name
Tricin
Systematic Name
Not Available
Synonyms
  • Tricetin 3',5'-dimethyl ether
CAS Number
Not Available
Average Mass
330.292
Monoisotopic Mass
330.073952791
Chemical Formula
C17H14O7
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
InChI Key
HRGUSFBJBOKSML-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
SMILES
COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.96e-02 g/l
LogS (ALOGPS)
-3.74
LogP (ALOGPS)
3.05
Hydrogen Acceptors
7
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
105.45000000000002
Refractivity
85.8403
Polarizability
32.7650438305156
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.540443684853466
pKa (strongest acidic)
6.5738458974424345
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
3'-O-methylated flavonoids
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Dimethoxybenzenes", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations
["Flavones and Flavonols", "dimethoxyflavone", "flavones", "trihydroxyflavone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Dimethoxybenzene", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "M-dimethoxybenzene", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Online Resources

Record IDSourceDescriptionView
FIO00738MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00739MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00740MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00741MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00742MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra
FIO00743MassBankLC-ESI-QTOF Spectrum - 10 eV, unspecifiedView Spectra
FIO00744MassBankLC-ESI-QTOF Spectrum - 20 eV, unspecifiedView Spectra
FIO00745MassBankLC-ESI-QTOF Spectrum - 30 eV, unspecifiedView Spectra
FIO00746MassBankLC-ESI-QTOF Spectrum - 40 eV, unspecifiedView Spectra
FIO00747MassBankLC-ESI-QTOF Spectrum - 50 eV, unspecifiedView Spectra

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Tricin Tricinratplasmaunchanged1h-3h200-500 nmol/LNo dataC17H14O7330.073952791 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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