Phyto4Health

Benzidine

Representations & DB's id
ChEBI: CHEBI:80495
ChEMBL: CHEMBL15901
PubChem: 7111
IUPAC: 4-(4-aminophenyl)aniline
Standard InChI: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
Standard InChI Key: HFACYLZERDEVSX-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)c1ccc(cc1)N

Molecular propeties
AlogP: 2.52
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 1
Number of rings: 2
Molecular Weight: 184.1
Topological polar surface area: 52
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 12

Plant sources

Part of plant Plant name Ref.
PlantCapsicum annuum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency50118.7 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
Potency7.9 nMCellular tumor antigen p53P04637
Potency25118.9 nMCytochrome P450 3A4P08684
Potency25118.9 nMCytochrome P450 3A4P08684
Others5 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others240 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others204 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
IC507390 nMRac GTPase-activating protein 1Q9H0H5
Potency19952.6 nMGlutaminase kidney isoform, mitochondrialO94925
Potency19952.6 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092