acompound

Showing entry for (8S,9Z)-8-Hydroxy-1-methoxy-9-heptadecene-4,6-diyne-3-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025398
Compound Name	(8S,9Z)-8-Hydroxy-1-methoxy-9-heptadecene-4,6-diyne-3-one
Structure
Formula	C18H26O3
InchiKey	FJWBUWYAOLZOKU-GKUQOKNUSA-N
SMILES	CCCCCCC/C=C\[C@@H](C#CC#CC(=O)CCOC)O
Inchi	InChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-12-17(19)13-10-11-14-18(20)15-16-21-2/h9,12,17,19H,3-8,15-16H2,1-2H3/b12-9-/t17-/m0/s1
IUPAC	(Z,8S)-8-hydroxy-1-methoxyheptadec-9-en-4,6-diyn-3-one
Molecular Weight	290.19
Pubchem Id	44575261
Chembl Id	CHEMBL479891

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	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	-	>150000	-	-

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
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	Inhibition	'='	69	%
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	IC50	'>'	150000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02049	Angelica sinensis	Angelica sinensis	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}