Identification

PhytoHub ID
PHUB000721
Name
Rhamnetin
Systematic Name
Not Available
Synonyms
  • 7-Methyl-quercetin
CAS Number
Not Available
Average Mass
316.265
Monoisotopic Mass
316.058302726
Chemical Formula
C16H12O7
IUPAC Name
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one
InChI Key
JGUZGNYPMHHYRK-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
SMILES
COC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.50e-01 g/l
LogS (ALOGPS)
-3.33
LogP (ALOGPS)
1.97
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
116.45
Refractivity
81.34450000000001
Polarizability
30.65918024216251
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.9555523339879035
pKa (strongest acidic)
7.12884478998072
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
Flavonols

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavones
Direct Parent Name
Flavonols
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-O-methylated flavonoids", "Alkyl aryl ethers", "Anisoles", "Benzene and substituted derivatives", "Catechols", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations
["Flavones and Flavonols", "flavonols", "monomethoxyflavone", "tetrahydroxyflavone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavone", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Catechol", "Chromone", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Online Resources

Record IDSourceDescriptionView
PR040055MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M-H]-View Spectra
PR040056MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [2M-H]-View Spectra
PR040057MassBankLC-ESI-QTOF Spectrum - 30 eV, [M-H]-View Spectra
PR040058MassBankLC-ESI-QTOF Spectrum - 30 eV, [2M-H]-View Spectra
PR040059MassBankLC-ESI-QTOF Spectrum - 30 eV, [M+H]+View Spectra
PR040060MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 eV, [M+H]+View Spectra
PR100234MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100647MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS041001ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS041002ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS041003ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS041007ReSpectN/A Spectrum - 10, [M-H]-View Spectra

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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