acompound

Showing entry for (2E)-3,7-Dimethylocta-2,6-Dienoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040793
Compound Name	(2E)-3,7-Dimethylocta-2,6-Dienoic Acid
Structure
Formula	C10H16O2
InchiKey	ZHYZQXUYZJNEHD-VQHVLOKHSA-N
SMILES	CC(=CCC/C(=C/C(=O)O)/C)C
Inchi	InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
IUPAC	(2E)-3,7-dimethylocta-2,6-dienoic acid
Molecular Weight	168.12
Pubchem Id	5275520
Chembl Id	CHEMBL170190

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

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
K7WDL7	BXGT003803	Iridoid synthase	reviewed		-	4000	-	-	-

Binding DB

n.a

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

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
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	56234	nM
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Potency	'='	39810	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	70794	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	56234	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	Others

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}