acompound

Showing entry for Acetyl-11-Keto-Beta-Boswellic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035197
Compound Name	Acetyl-11-Keto-Beta-Boswellic Acid
Structure
Formula	C32H48O5
InchiKey	HMMGKOVEOFBCAU-BCDBGHSCSA-N
SMILES	CC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@H](C)CC1)C)C)C
Inchi	InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
IUPAC	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular Weight	512.35
Pubchem Id	11168203
Chembl Id	CHEMBL237111

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
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	ALOX5	Enzyme	-	-	-	-

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	BXGT004082	Prostaglandin E synthase	reviewed		PTGES	-	3000	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	2700	-	-
reviewed	BXGT010620	Prolyl endopeptidase	reviewed	Enzyme	PREP	-	7890	-	-

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
P80365	BXGT011895	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	Enzyme	HSD11B2	Inhibition	'='	52	%
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	2700	nM
P35968	BXGT009887	Vascular endothelial growth factor receptor 2	reviewed	Kinase	KDR	Inhibition	'='	40	%
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'='	3000	nM
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	Inhibition	'='	63	%
P48147	BXGT010620	Prolyl endopeptidase	reviewed	Enzyme	PREP	IC50	'='	7890	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	IC50	'='	52990	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	IC50	'='	50360	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Inhibition	'='	26	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00971	Boswellia papyrifera	Boswellia papyrifera	Human Edible Plant
BXGF05048	boswellia spp.	boswellia spp.	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}