acompound

Showing entry for Boswellic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051978
Compound Name	Boswellic Acid
Structure
Formula	C30H48O3
InchiKey	NBGQZFQREPIKMG-PONOSELZSA-N
SMILES	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@H]([C@]1(C)C(=O)O)O)C
Inchi	InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
IUPAC	(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
Molecular Weight	456.36
Pubchem Id	168928
Chembl Id	CHEMBL267225

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	BXGT004082	Prostaglandin E synthase	reviewed		PTGES	-	5000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>20000	-	-
reviewed	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	>20000	-	-
reviewed	BXGT010620	Prolyl endopeptidase	reviewed	Enzyme	PREP	-	9750	-	-

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
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	39810	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Activity	'='	50	%
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'>'	20000	nM
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'='	5000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	20000	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	14125	nM
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	997	nM
P48147	BXGT010620	Prolyl endopeptidase	reviewed	Enzyme	PREP	IC50	'='	9750	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	89125	nM

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
BXGF01307	Hemerocallis radix	Hemerocallis radix	Others
BXGF02011	Boswellia carterii	Boswellia carterii	Medicinal Plant
BXGF02548	Hemerocallis fulva	Hemerocallis fulva	Medicinal 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}