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Ligand

NameBETA-IONONE
Molecular formulaC13H20O
IUPAC name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Molecular weight192.302
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP2.9
SynonymsW-104258
beta-Cyclocitrylideneacetone
beta-Ionone, natural, >=85%, FG
CHEBI:32325
(3E)-BETA-IONONE
[ Show all ]
Inchi KeyPSQYTAPXSHCGMF-BQYQJAHWSA-N
Inchi IDInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
PubChem CID638014
ChEMBLCHEMBL559945
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
529175Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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