Coumaric acid-4'-O-glucoside
precursor
Showing entry for Coumaric acid-4'-O-glucoside
Identification
- PhytoHub ID
- PHUB000591
- Name
- Coumaric acid-4'-O-glucoside
- Systematic Name
- Not Available
- Synonyms
- 4-hydroxy-cinnamic acid-4-O-glucoside
- trans-Coumaric acid glucoside
- CAS Number
- Not Available
- Average Mass
- 326.301
- Monoisotopic Mass
- 326.10016754
- Chemical Formula
- C15H18O8
- IUPAC Name
- (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid
- InChI Key
- LJFYQZQUAULRDF-FDGSXQGBSA-N
- InChI Identifier
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=CC=C(\C=C\C(O)=O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 5.08e+00 g/l
- LogS (ALOGPS)
- -1.81
- LogP (ALOGPS)
- -0.35
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 5
- Polar Surface Area
- 136.68
- Refractivity
- 77.18520000000001
- Polarizability
- 31.93980428791113
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.981092343686506
- pKa (strongest acidic)
- 3.531352886083869
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 9840292
- ChEBI
- 83032
- ChEBI
- 16099
- MetaboLights
- MTBLC83032
- Phenol-Explorer
- 487
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Phenolic acids
- Sub-class
- Hydroxycinnamic acids
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available