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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	127-51-5
Molecular formula	C14H22O
IUPAC name	(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular weight	206.329
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.3
Synonyms	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one # AI3-36074 Alpha-isomethylionone DSSTox_RID_78291 Isomethyl-alpha-ionone Methyl-.alpha.-isoionone SBB093728 .alpha. Isomethyl ionone .alpha.-iso-Methyl ionone 3-Methyl-a-ionone alpha-Cetone, odorant used in allergy studies Cetone alpha FEMA 2714 JRJBVWJSTHECJK-UHFFFAOYSA-N NCGC00247909-01 STK801849 (+)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-buten-2-one 3-BUTEN-2-ONE, 3-METHYL-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)- 8-Methyl-.alpha.-ionone alpha-ISOMETHYL IONONE BRI FCC DSSTox_CID_7047 Isomethyl-.alpha.-ionone M0647 RTR-003947 W-109462 (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one .alpha.-Cetone 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, analytical standard AKOS015899855 alpha-Isomethylionone, mixture of isomers DTXSID7027047 Isomethylionone, alpha- Methyl-alpha-isoionone SCHEMBL160940 4-(2,6,6-Trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one alpha-Ionone, isomethyl- FEMA No. 2714 KB-183565 NCGC00254048-01 Tox21_300152 (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one AC1NSXU5 alpha-Isomethyl ionone, >=95%, stabilized, FG DSSTox_GSID_27047 Isomethyl-a-ionone Methyl ionone I S582 (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one .alpha.-Ionone, isomethyl- 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one alpha-Cetone CAS-127-51-5 EINECS 204-846-3 JRJBVWJSTHECJK-PKNBQFBNSA-N MolPort-000-145-914 ST24028583 15789-90-9 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one alpha-iso-Methylionone CHEMBL3183353 Iso-.alpha.-methyl ionone LS-178802 NSC 66432 TR-003947 (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one [ Show all ]
Inchi Key	JRJBVWJSTHECJK-PKNBQFBNSA-N
Inchi ID	InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
PubChem CID	5372174
ChEMBL	CHEMBL3183353
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
526022	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308

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