Phyto4Health

3-Chlorophenol

Representations & DB's id

ChEBI: CHEBI:38855
ChEMBL: CHEMBL41172
PubChem: 7933
IUPAC: 3-chlorophenol
Standard InChI: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
Standard InChI Key: HORNXRXVQWOLPJ-UHFFFAOYSA-N
SMILES: Oc1cccc(c1)Cl

Molecular propeties

AlogP: 2.05
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 128
Topological polar surface area: 20.2
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 7

Plant sources

Part of plant Plant name Ref.
PlantCannabis sativa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency1584.9 nMThyroid stimulating hormone receptorP16473
Potency1584.9 nMThyroid stimulating hormone receptorP16473
Potency53080.4 nMNuclear factor erythroid 2-related factor 2Q16236