Eugenol
precursor
Showing entry for Eugenol
Identification
- PhytoHub ID
- PHUB000606
- Name
- Eugenol
- Systematic Name
- Not Available
- Synonyms
- 2-Methoxy-4-prop-2-enylbenzene
- 4-Allylguaiacol
- Eugenic acid
- CAS Number
- Not Available
- Average Mass
- 164.204
- Monoisotopic Mass
- 164.083729626
- Chemical Formula
- C10H12O2
- IUPAC Name
- 2-methoxy-4-(prop-2-en-1-yl)phenol
- InChI Key
- RRAFCDWBNXTKKO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
- SMILES
COC1=CC(CC=C)=CC=C1O
- Structure
Structure for Eugenol
Calculated Properties
- Solubility (ALOGPS)
- 1.44e+00 g/l
- LogS (ALOGPS)
- -2.06
- LogP (ALOGPS)
- 2.66
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- 29.46
- Refractivity
- 48.7894
- Polarizability
- 17.898461035466806
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.892303223457161
- pKa (strongest acidic)
- 9.941818320747016
- 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
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Methoxyphenols
- Direct Parent Name
- Methoxyphenols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Hydrocarbon derivatives", "Methoxybenzenes", "Phenoxy compounds"]
- External Descriptor Annotations
- ["Monolignols", "a monoterpenol", "a phenol", "monomethoxybenzene", "phenols", "phenylpropanoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol ether", "Phenoxy compound"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| FIO00502 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
| FIO00503 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
| FIO00504 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
| FIO00505 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
| FIO00506 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
| JP000746 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP001244 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP001245 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP007575 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP008438 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP009332 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP009442 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP009740 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Banana | Fruit, Tropical fruits | Publications | Show | |
| Cassia cinnamon | Herbs and Spices | Show | ||
| Cinnamon | Herbs and Spices | Publications | Show | |
| Cloves | Herbs and Spices | Publications | Show | |
| Coriander | Herbs and Spices | Show | ||
| Nutmeg | Herbs and Spices | Show | ||
| Sweet basil | Herbs and Spices | Publications | Show | |
| Sweet marjoram | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No data on inter-individual variations available