Methoxyeugenol
precursor
Showing entry for Methoxyeugenol
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
Structure for Methoxyeugenol
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
External Links
No external links
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 Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Elemicin | Miscellaneous phytochemicals | Not Available | Not Available | Show 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 Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found