Phyto4Health

1,2,3,4,4A,5,6,7,8,8A-Decahydronaphthalene

Representations & DB's id

ChEBI: CHEBI:38853
ChEMBL: CHEMBL1491920
PubChem: 7044
IUPAC: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Standard InChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
Standard InChI Key: NNBZCPXTIHJBJL-UHFFFAOYSA-N
SMILES: C1CCC2C(C1)CCCC2

Molecular propeties

AlogP: 3.37
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 138.14
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 1
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantNerium oleander

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency22387.2 nMAldehyde dehydrogenase 1A1P00352
Potency16353.5 nMATPase family AAA domain-containing protein 5Q96QE3
Potency103.2 nMGemininO75496
Potency66824.2 nMNuclear receptor ROR-gammaP51449