Identification

PhytoHub ID
PHUB001953
Name
Methoxyeugenol glucuronide
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

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)
-3.6868291994774793
pKa (strongest acidic)
3.055924960255488
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Precursor Taxonomy

PrecursorFamilyClassSub-class
MethoxyeugenolPolyphenolsPhenolic acidsMiscellaneous phenolic acidsShow Precursor

Spectra

No spectra information available

Food Sources

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

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Methoxyeugenol Methoxyeugenol glucuronidehumanurineC17H22O9370.126382288 Publications
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