Methoxyeugenol glucuronide
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
Structure for Methoxyeugenol glucuronide
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
External Links
No external links
Taxonomy as Metabolite
- Family
- Miscellaneous phytochemical metabolites
- Class
- Miscellaneous phytochemical metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Methoxyeugenol | Polyphenols | Phenolic acids | Miscellaneous phenolic acids | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found