Phyto4Health

1-(4-Hydroxyphenyl)Nonan-1-One

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL213237
PubChem: 167093
IUPAC: 1-(4-hydroxyphenyl)nonan-1-one
Standard InChI: InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3
Standard InChI Key: JZBXYOOARNRUME-UHFFFAOYSA-N
SMILES: CCCCCCCCC(=O)c1ccc(cc1)O

Molecular propeties

AlogP: 4.33
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 8
Number of rings: 1
Molecular Weight: 234.16
Topological polar surface area: 37.3
Number of aromatic rings: 1
Fsp3: 0.533
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
PlantHumulus lupulus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC502860 nMEstradiol 17-beta-dehydrogenase 3P37058
Others83.53 %Estradiol 17-beta-dehydrogenase 3P37058