acompound

Showing entry for alpha-Elemolic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006790
Compound Name	alpha-Elemolic acid
Structure
Formula	C30H48O3
InchiKey	NBSBUIQBEPROBM-IMJUUJEHSA-N
SMILES	[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@]1([H])CC3)[C@H](CCC=C(C)C)C(O)=O
Inchi	InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
IUPAC	(2S)-2-[(2S,5R,7R,11S,14S,15S)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.02,?.011,1?]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoic acid
Molecular Weight	456.7
Pubchem Id	441677
Chembl Id	CHEMBL3289096

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	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	>10000	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	>10000	-	-
reviewed	BXGT004082	Prostaglandin E synthase	reviewed		PTGES	-	1100	-	-

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Activity	'='	81	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Activity	-	-	-
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'='	1100	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'>'	10000	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'>'	10000	nM
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	Activity	'='	3	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF02011	Boswellia carterii	Boswellia carterii	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}