acompound

General Compound Information
BXGC Id	BXGC0037954
Compound Name	Pimaric Acid
Structure
Formula	C20H30O2
InchiKey	MHVJRKBZMUDEEV-APQLOABGSA-N
SMILES	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O
Inchi	InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1
IUPAC	(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Molecular Weight	302.22
Pubchem Id	220338
Chembl Id	CHEMBL1410398

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
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	12589	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	7943	nM
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-
P10826	BXGT007622	Retinoic acid receptor beta	reviewed	Nuclear receptor	RARB	Activity	-	-	-
P13631	BXGT007929	Retinoic acid receptor gamma	reviewed	Nuclear receptor	RARG	Activity	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	Activity	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	6309	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Activity	-	-	-
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01411	Waitzia acuminata	Waitzia acuminata	Others
BXGF01562	Strychnos tomentosa	Strychnos tomentosa	Others
BXGF01757	Centaurea zuccariniana	Centaurea zuccariniana	Others
BXGF02438	Asparagus racemosus	Asparagus racemosus	Medicinal Plant
BXGF02897	Squamopappus skutchii	Squamopappus skutchii	Others
BXGF03182	Brucea antidysenterica	Brucea antidysenterica	Medicinal Plant
BXGF03206	Phagnalon atlanticum	Phagnalon atlanticum	Others
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF03732	Grazielia serrata	Grazielia serrata	Others
BXGF04292	Bowdichia virgilioides	Bowdichia virgilioides	Medicinal Plant
BXGF04797	Tinospora hainanensis	Tinospora hainanensis	Medicinal Plant
BXGF05095	Wrightia tinctoria	Wrightia tinctoria	Medicinal Plant
BXGF05209	Veronica anagallis	Veronica anagallis	Medicinal Plant
BXGF05346	Acacia simplicifolia	Acacia simplicifolia	Others
BXGF05449	Tetradenia glauca	Tetradenia glauca	Others
BXGF05970	Nauclea parva	Nauclea parva	Others
BXGF06024	Uvaria microcarpa	Uvaria microcarpa	Human Edible Plant
BXGF06123	Cousinia canescens	Cousinia canescens	Others
BXGF06314	Teucrium scorodonia	Teucrium scorodonia	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}