Phyto4Health

2-(4-Hydroxyphenyl)Acetic Acid

Representations & DB's id

ChEBI: CHEBI:18101
ChEMBL: CHEMBL1772
PubChem: 127
IUPAC: 2-(4-hydroxyphenyl)acetic acid
Standard InChI: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Standard InChI Key: XQXPVVBIMDBYFF-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(cc1)O

Molecular propeties

AlogP: 1.02
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 152.05
Topological polar surface area: 57.5
Number of aromatic rings: 1
Fsp3: 0.125
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantMelilotus officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki309000 nMCarbonic anhydrase IP00915
Ki10300 nMCarbonic anhydrase IIP00918