acompound

Showing entry for 11-Deoxoglycyrrhetinic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0007542
Compound Name	11-Deoxoglycyrrhetinic acid
Structure
Formula	C30H48O3
InchiKey	JZFSMVXQUWRSIW-BTJIZOSBSA-N
SMILES	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
Inchi	InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
IUPAC	(2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Molecular Weight	456.7
Pubchem Id	12305517
Chembl Id	CHEMBL487933

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	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	-	10530	-	-
reviewed	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	-	6950	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	82000	-	-

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
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	81283	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	82000	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	IC50	'='	10530	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	1	-
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	IC50	'='	6950	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	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}