Phyto4Health

Ethylbenzene

Representations & DB's id

ChEBI: CHEBI:16101
ChEMBL: CHEMBL371561
PubChem: 7500
IUPAC: ethylbenzene
Standard InChI: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Standard InChI Key: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SMILES: CCc1ccccc1

Molecular propeties

AlogP: 2.25
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 106.08
Topological polar surface area: 0
Number of aromatic rings: 1
Fsp3: 0.25
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
RadixPolygala sibirica
PlantPolygala tenuifolia
PericarpiumCitrus unshiu
PlantNerium oleander
FlowerCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency6.3 nMCellular tumor antigen p53P04637
Potency33.5 nMNuclear factor erythroid 2-related factor 2Q16236