Caffeic acid glycerol ester
precursor
Showing entry for Caffeic acid glycerol ester
Identification
- PhytoHub ID
- PHUB002854
- Name
- Caffeic acid glycerol ester
- Systematic Name
- Not Available
- Synonyms
- Caffeoyl-glycerol
- CAS Number
- Not Available
- Average Mass
- 254.238
- Monoisotopic Mass
- 254.079038171
- Chemical Formula
- C12H14O6
- IUPAC Name
- 2,3-dihydroxypropyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- InChI Key
- NOHROAYVCRHDHO-DUXPYHPUNA-N
- InChI Identifier
InChI=1/C12H14O6/c13-6-9(14)7-18-12(17)4-2-8-1-3-10(15)11(16)5-8/h1-5,9,13-16H,6-7H2/b4-2+
- SMILES
OCC(O)COC(=O)\C=C\C1=CC(O)=C(O)C=C1
- Structure
Structure for Caffeic acid glycerol ester
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 6
- Polar Surface Area
- 107.22
- Refractivity
- 64.04560000000001
- Polarizability
- 25.276503722104238
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9686917101118624
- pKa (strongest acidic)
- 9.208618599479463
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Phenolic acids
- Sub-class
- Hydroxycinnamic acids
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Pineapple | Fruit, Tropical fruits | Publications | Show | |
| pineapple juice | Beverages, Non-alcoholic | Publications | Show |
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