acompound

Showing entry for Heptadec-9-Ene-4,6-Diyne-1,8-Diol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019461
Compound Name	Heptadec-9-Ene-4,6-Diyne-1,8-Diol
Structure
Formula	C17H26O2
InchiKey	OZXJUTMPBYVTKB-IFCKCIONSA-N
SMILES	CCCCCCC/C=C\[C@@H](C#CC#CCCCO)O
Inchi	InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1
IUPAC	(Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol
Molecular Weight	262.19
Pubchem Id	10753985
Chembl Id	CHEMBL435827

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT009621	5-hydroxytryptamine receptor 7	reviewed		Htr7	515	-	-	-
reviewed	BXGT008059	5-hydroxytryptamine receptor 2A	reviewed		Htr2a	48	-	-	-
reviewed	BXGT008472	5-hydroxytryptamine receptor 1A	reviewed		Htr1a	35	-	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q9ES14	BXGT020314	Gamma-aminobutyric acid receptor subunit epsilon	reviewed	-	Gabre	IC50	'='	6010	nM
Q91ZM7	BXGT019327	GABA theta subunit	unreviewed	-	Gabrq	IC50	'='	6010	nM
P63138	BXGT011502	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	-	Gabrb2	IC50	'='	6010	nM
P63079	BXGT011491	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	-	Gabrb3	IC50	'='	6010	nM
P62813	BXGT011460	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	-	Gabra1	IC50	'='	6010	nM
P30191	BXGT009410	Gamma-aminobutyric acid receptor subunit alpha-6	reviewed	-	Gabra6	IC50	'='	6010	nM
P28473	BXGT009261	Gamma-aminobutyric acid receptor subunit gamma-3	reviewed	-	Gabrg3	IC50	'='	6010	nM
P28471	BXGT009259	Gamma-aminobutyric acid receptor subunit alpha-4	reviewed	-	Gabra4	IC50	'='	6010	nM
P23576	BXGT008885	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	-	Gabra2	IC50	'='	6010	nM
P23574	BXGT008884	Gamma-aminobutyric acid receptor subunit gamma-1	reviewed	-	Gabrg1	IC50	'='	6010	nM
P20236	BXGT008551	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	-	Gabra3	IC50	'='	6010	nM
P19969	BXGT008536	Gamma-aminobutyric acid receptor subunit alpha-5	reviewed	-	Gabra5	IC50	'='	6010	nM
P18508	BXGT008412	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	-	Gabrg2	IC50	'='	6010	nM
P18506	BXGT008410	Gamma-aminobutyric acid receptor subunit delta	reviewed	-	Gabrd	IC50	'='	6010	nM
P15431	BXGT008122	Gamma-aminobutyric acid receptor subunit beta-1	reviewed	-	Gabrb1	IC50	'='	6010	nM
O09028	BXGT004049	Gamma-aminobutyric acid receptor subunit pi	reviewed	-	Gabrp	IC50	'='	6010	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02624	Cicuta virosa	Cicuta virosa	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}