General
Preferred name
MELILOTIC ACID
Synonyms
3-(2-Hydroxyphenyl)propionic acid ()
Melilotic acid, Melilotate, 2-hydroxybenzenepropanoic acid ()
P&D ID
PD098697
CAS
495-78-3
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Melilotic acid is an endogenous metabolite.
PRICE 29
DESCRIPTION Melilotic acid (3-(2-Hydroxyphenyl)propionic acid), also known as melilotic acid or melilotate. Within the cell, 3-(2-hydroxyphenyl)propanoic acid is primarily located in the cytoplasm. Melilotic acid can be biosynthesized from propionic acid. Outside of the human body, 3-(2-hydroxyphenyl)propanoic acid can be found in a number of food items such as herbs and spices, red beetroot, chinese cinnamon, and bilberry. This makes 3-(2-hydroxyphenyl)propanoic acid a potential biomarker for the consumption of these food products.
Compound Sets
3
Enamine Bioactive Compounds
EBC-152203
MedChem Express Bioactive Compound Library
HY-W017158
Selleckchem Bioactive Compound Library
3-2-hydroxyphenyl-propionic-acid
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
166.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.41
TPSA
57.53
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
MOA
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data