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Ligand

NameALPHA-IONONE
Molecular formulaC13H20O
IUPAC name(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular weight192.302
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.0
SynonymsFEMA No. 2594
Irisone
(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-on
Nat. Alpha Ionone
(E)-alpha-Ionone
[ Show all ]
Inchi KeyUZFLPKAIBPNNCA-BQYQJAHWSA-N
Inchi IDInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
PubChem CID5282108
ChEMBLCHEMBL472877
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
531362Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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