Phyto4Health

Benzene

Representations & DB's id

ChEBI: CHEBI:16716
ChEMBL: CHEMBL277500
PubChem: 241
IUPAC: benzene
Standard InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
Standard InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
SMILES: c1ccccc1

Molecular propeties

AlogP: 1.69
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 78.05
Topological polar surface area: 0
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
PlantCapsicum annuum
PlantHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency7943.3 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency7943.3 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMThyroid stimulating hormone receptorP16473
Potency4 nMCellular tumor antigen p53P04637