acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017112
Compound Name	n.a
Structure
Formula	C27H36O4
InchiKey	IKUIJYZNRMQNBM-FWXQPYBBSA-N
SMILES	C/C(=C\CC/C(=C/CC1=CC(=O)C=C(C1=O)C)/C)/CC/C=C(\C(=O)O)/CCC=C(C)C
Inchi	InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)17-22(5)26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-
IUPAC	(2Z,6E,10E)-6,10-dimethyl-12-(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
Molecular Weight	424.26
Pubchem Id	9802458
Chembl Id	CHEMBL4064412

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

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Ki	'='	4000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	10500	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	69300	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	12100	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01954	Amomum tsao-ko	Amomum tsao-ko	Human Edible Plant
BXGF03341	Lycopus lucidus	Lycopus lucidus	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}