Identification

PhytoHub ID
PHUB002568
Name
N-Caffeoyl-3-O-hydroxytyrosine
Systematic Name
Not Available
Synonyms
  • 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; (S)-form, N-(3,4-Dihydroxy-E-cinnamoyl)
  • Clovamide
  • trans-Clovamide
CAS Number
53755-02-5
Average Mass
359.334
Monoisotopic Mass
359.100501891
Chemical Formula
C18H17NO7
IUPAC Name
Not Available
InChI Key
GPZFXSWMDFBRGS-UXONFWTHSA-N
InChI Identifier
InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3+/t12-/m0/s1
SMILES
 	OC(=O)[C@@H](NC(=O)/C=C/C1=CC(O)=C(O)C=C1)CC2=CC(O)=C(O)C=C2
Structure

Calculated Properties

Solubility (ALOGPS)
8.15e-02 g/l
LogS (ALOGPS)
-3.64
LogP (ALOGPS)
2.02
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Not Available
Class
Not Available
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
CocoaCocoa and cocoa products PublicationsShow
Cocoa beanCocoa and cocoa products PublicationsShow

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

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