Phyto4Health

1-Methylnaphthalene

Representations & DB's id

ChEBI: CHEBI:50717
ChEMBL: CHEMBL383808
PubChem: 7002
IUPAC: 1-methylnaphthalene
Standard InChI: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
Standard InChI Key: QPUYECUOLPXSFR-UHFFFAOYSA-N
SMILES: Cc1cccc2c1cccc2

Molecular propeties

AlogP: 3.15
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 142.08
Topological polar surface area: 0
Number of aromatic rings: 2
Fsp3: 0.091
Number of carbons: 11

Plant sources

Part of plant Plant name Ref.
RadixPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50110000 nMCytochrome P450 1A2P05177
IC5034000 nMCytochrome P450 2A6P11509
IC5033962.53 nMCytochrome P450 2A6P11509
Potency39810.7 nMAldehyde dehydrogenase 1A1P00352
Potency5955.7 nMNuclear receptor ROR-gammaP51449