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Ligand

NameCitral
Molecular formulaC10H16O
IUPAC name(2E)-3,7-dimethylocta-2,6-dienal
Molecular weight152.237
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.0
Synonyms(Z)-3,7-Dimethyl-2,6-octadienal
EINECS 205-476-5
2,6-Octadienal,3,7-dimethyl-, reaction products with Et alc.
geranal
3,7-Dimethyl-2,6-octadienal
[ Show all ]
Inchi KeyWTEVQBCEXWBHNA-JXMROGBWSA-N
Inchi IDInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
PubChem CID638011
ChEMBLCHEMBL1080997
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
532272Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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