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2,6-Dimethylnaphthalene

Representations & DB's id

ChEBI: CHEBI:34251
ChEMBL: CHEMBL194983
PubChem: 11387
IUPAC: 2,6-dimethylnaphthalene
Standard InChI: InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
Standard InChI Key: YGYNBBAUIYTWBF-UHFFFAOYSA-N
SMILES: Cc1ccc2c(c1)ccc(c2)C

Molecular propeties

AlogP: 3.46
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 156.09
Topological polar surface area: 0
Number of aromatic rings: 2
Fsp3: 0.167
Number of carbons: 12

Plant sources

Part of plant Plant name Ref.
PlantNerium oleander

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5052000 nMCytochrome P450 1A2P05177
IC5010000 nMCytochrome P450 2A6P11509
IC5010000 nMCytochrome P450 2A6P11509