Phyto4Health

Benzoic Acid

Representations & DB's id
ChEBI: CHEBI:30746
ChEMBL: CHEMBL541
PubChem: 243
IUPAC: benzoic acid
Standard InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Standard InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N
SMILES: OC(=O)c1ccccc1

Molecular propeties
AlogP: 1.38
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 122.04
Topological polar surface area: 37.3
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
FructusSchisandra chinensis
SemenPrunus armeniaca
PlantVaccinium vitis-idaea
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency10000 nMThyroid stimulating hormone receptorP16473
Potency10000 nMThyroid stimulating hormone receptorP16473
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others0 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Ki7000 nMD-amino-acid oxidaseP14920
Ki10900 nMD-amino-acid oxidaseP14920
IC5010000000 nMSerine racemaseQ9GZT4
IC5010000000 nMD-aspartate oxidaseQ99489
IC5065700 nMD-amino-acid oxidaseP14920
IC5046900 nMD-amino-acid oxidaseP14920
Kd9000 nMD-amino-acid oxidaseP14920
Kd2300 nMD-amino-acid oxidaseP14920
IC502089.3 nMD-amino-acid oxidaseP14920
Ki2000 nMD-amino-acid oxidaseP14920
Kd2200 nMD-amino-acid oxidaseP14920
EC5010000 nMMetabotropic glutamate receptor 5P41594
IC50134000 nMD-amino-acid oxidaseP14920
IC5010000000 nMD-aspartate oxidaseQ99489