Identification

PhytoHub ID
PHUB001907
Name
Methoxyeugenol
Systematic Name
Not Available
Synonyms
  • 2,6-Dimethoxychavicol
  • 4-Allylsyringol
CAS Number
6627-88-9
Average Mass
194.23
Monoisotopic Mass
194.094294311
Chemical Formula
C11H14O3
IUPAC Name
2,6-dimethoxy-4-(prop-2-en-1-yl)phenol
InChI Key
FWMPKHMKIJDEMJ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3
SMILES
COC1=CC(CC=C)=CC(OC)=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.59e+00 g/l
LogS (ALOGPS)
-2.09
LogP (ALOGPS)
2.23
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
38.69
Refractivity
55.2526
Polarizability
20.656329250449993
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.603104312142213
pKa (strongest acidic)
9.335852773119273
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Phenolic acid metabolites
Metabolite Sub-class
Miscellaneous phenolic acid metabolites

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
ElemicinMiscellaneous phytochemicalsNot AvailableNot AvailableShow Food Phytochemical

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Phenols
Super-class
Benzenoids
Sub-class
Methoxyphenols
Direct Parent Name
Methoxyphenols
Alternative Parent Names
["Alkyl aryl ethers", "Anisoles", "Dimethoxybenzenes", "Hydrocarbon derivatives", "Phenoxy compounds"]
External Descriptor Annotations
["dimethoxybenzene", "phenols", "phenylpropanoid"]
Substituent Names
["Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Dimethoxybenzene", "Ether", "Hydrocarbon derivative", "M-dimethoxybenzene", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol ether", "Phenoxy compound"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
BananaFruit, Tropical fruits PublicationsShow
Star aniseHerbs and Spices PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
ElemicinBananaFruit, Tropical fruits PublicationsShow
ElemicinNutmegHerbs 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
Elemicin MethoxyeugenolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC11H14O3194.094294311

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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