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Ligand

NameCITRONELLAL
Molecular formulaC10H18O
IUPAC name3,7-dimethyloct-6-enal
Molecular weight154.253
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.0
SynonymsDSSTox_CID_21790
FEMA 2307
InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H
NCGC00255093-01
(+/-)-3,7-Dimethyl-6-octenal
[ Show all ]
Inchi KeyNEHNMFOYXAPHSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
PubChem CID7794
ChEMBLCHEMBL447944
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
527854Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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