Phyto4Health

4-(2-Phenylpropan-2-Yl)Phenol

Representations & DB's id

ChEBI: CHEBI:35092
ChEMBL: CHEMBL194805
PubChem: 11742
IUPAC: 4-(2-phenylpropan-2-yl)phenol
Standard InChI: InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
Standard InChI Key: QBDSZLJBMIMQRS-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)C(c1ccccc1)(C)C

Molecular propeties

AlogP: 3.72
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 2
Molecular Weight: 212.12
Topological polar surface area: 20.2
Number of aromatic rings: 2
Fsp3: 0.2
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
RubraPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency19952.6 nMAldehyde dehydrogenase 1A1P00352
Potency19952.6 nMCytochrome P450 3A4P08684
Potency19952.6 nMCytochrome P450 3A4P08684
Potency74978 nMNuclear factor erythroid 2-related factor 2Q16236
Potency61130.6 nMNuclear factor erythroid 2-related factor 2Q16236