Identification

PhytoHub ID
PHUB001700
Name
3,4-DHPEA-EDA
Systematic Name
Not Available
Synonyms
  • 3,4-DHPEA-Elenolic acid Di-Aldehyde
  • Oleuropein-aglycone di-aldehyde
CAS Number
Not Available
Average Mass
320.341
Monoisotopic Mass
320.125988364
Chemical Formula
C17H20O6
IUPAC Name
2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate
InChI Key
XLPXUPOZUYGVPD-XNJYKOPJSA-N
InChI Identifier
InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2+
SMILES
[H]\C(C)=C(\C=O)C(CC=O)CC(=O)OCCC1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.15e-02 g/l
LogS (ALOGPS)
-3.89
LogP (ALOGPS)
2.71
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
100.90000000000002
Refractivity
85.25209999999997
Polarizability
33.15328801909256
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.405819355400649
pKa (strongest acidic)
9.284725973178936
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Olive oilFats and oils PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
3,4-DHPEA-EDA 3,4-DHPEA-EDA glucuronidehumanplasmahost metabolism1h-3hTraceNot Available Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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