metabolite

Showing entry for Methoxyeugenol glucuronide

Identification

PhytoHub ID
PHUB001953
Name
Methoxyeugenol glucuronide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
370.354
Monoisotopic Mass
370.126382288
Chemical Formula
C17H22O9
IUPAC Name
(2S,4S)-6-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key
APLPMGGRFBGNJD-JZJWZLNFSA-N
InChI Identifier
InChI=1S/C17H22O9/c1-4-5-8-6-9(23-2)14(10(7-8)24-3)25-17-13(20)11(18)12(19)15(26-17)16(21)22/h4,6-7,11-13,15,17-20H,1,5H2,2-3H3,(H,21,22)/t11-,12?,13?,15-,17?/m0/s1
SMILES
COC1=CC(CC=C)=CC(OC)=C1OC1O[C@@H](C(O)[C@H](O)C1O)C(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
6.67e+00 g/l
LogS (ALOGPS)
-1.74
LogP (ALOGPS)
0.43
Hydrogen Acceptors
9
Hydrogen Donors
4
Rotatable Bond Count
7
Polar Surface Area
134.91
Refractivity
87.2644
Polarizability
35.53021814066126
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.68682919947748
pKa (strongest acidic)
3.055924960255488
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Miscellaneous phytochemical metabolites
Class
Miscellaneous phytochemical metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
MethoxyeugenolPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow Food Phytochemical

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
MethoxyeugenolBananaFruit, Tropical fruits PublicationsShow
MethoxyeugenolStar aniseHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Methoxyeugenol Methoxyeugenol glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC17H22O9370.126382288 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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