precursor

Showing entry for Coumaroyl tyrosine (p-)

Identification

PhytoHub ID
PHUB000597
Name
Coumaroyl tyrosine (p-)
Systematic Name
Not Available
Synonyms
  • trans-Dideoxyclovamide
CAS Number
Not Available
Average Mass
327.336
Monoisotopic Mass
327.110672651
Chemical Formula
C18H17NO5
IUPAC Name
3-(4-hydroxyphenyl)-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]propanoic acid
InChI Key
LEEDEKWKJVUWGA-BJMVGYQFSA-N
InChI Identifier
InChI=1S/C18H17NO5/c20-14-6-1-12(2-7-14)5-10-17(22)19-16(18(23)24)11-13-3-8-15(21)9-4-13/h1-10,16,20-21H,11H2,(H,19,22)(H,23,24)/b10-5+
SMILES
OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)\C=C\C1=CC=C(O)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.43e-02 g/l
LogS (ALOGPS)
-4.13
LogP (ALOGPS)
2.35
Hydrogen Acceptors
5
Hydrogen Donors
4
Rotatable Bond Count
6
Polar Surface Area
106.86
Refractivity
88.9381
Polarizability
33.60764153678704
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-0.6926163686548569
pKa (strongest acidic)
3.6323825558986464
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxycinnamic acids

Spectra from Phytohub

Food Sources

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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