acompound

Showing entry for Sentulic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026183
Compound Name	Sentulic Acid
Structure
Formula	C30H46O4
InchiKey	VUWARXIOXCJWQT-IMQJRXMUSA-N
SMILES	OC(=O)CC[C@@]1(C)[C@@H](CC[C@@]2([C@@H]1CC=C1[C@]2(CC[C@@]2([C@H]1CC(C)(C)CC2)C)C(=O)O)C)C(=C)C
Inchi	InChI=1S/C30H46O4/c1-19(2)20-10-13-29(7)23(28(20,6)12-11-24(31)32)9-8-21-22-18-26(3,4)14-15-27(22,5)16-17-30(21,29)25(33)34/h8,20,22-23H,1,9-18H2,2-7H3,(H,31,32)(H,33,34)/t20-,22-,23+,27+,28-,29+,30+/m0/s1
IUPAC	(1S,2S,4aR,4bR,6aR,10aR,12aR)-1-(2-carboxyethyl)-1,4a,6a,9,9-pentamethyl-2-prop-1-en-2-yl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysene-4b-carboxylic acid
Molecular Weight	470.34
Pubchem Id	70683988
Chembl Id	CHEMBL2041872

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
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	4	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	2	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	Inhibition	-	-	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	2	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	0	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	2	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	Inhibition	'='	43	%
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	0	-
Q60795	BXGT016000	Nuclear factor erythroid 2-related factor 2	reviewed	-	Nfe2l2	Activity	-	-	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	0	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	1	-
Q9QUK6	BXGT021375	Toll-like receptor 4	reviewed	-	Tlr4	FC	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02007	Sandoricum koetjape	Sandoricum koetjape	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}