acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044025
Compound Name	n.a
Structure
Formula	C29H44O5
InchiKey	QOMDKLJZJHBJPR-ZNVWUHHUSA-N
SMILES	CC[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2C[C@@H]([C@]2([C@H]1CC=C([C@@H]2C(=O)O)C(=O)C)C)OC(=O)C)C)C
Inchi	InChI=1S/C29H44O5/c1-8-26(4)13-9-14-27(5)20(26)12-15-28(6)21-11-10-19(17(2)30)24(25(32)33)29(21,7)23(16-22(27)28)34-18(3)31/h10,20-24H,8-9,11-16H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,24+,26-,27-,28-,29+/m0/s1
IUPAC	(1R,4aS,4bR,6aS,7S,10aS,10bR,12S,12aS)-2-acetyl-12-acetyloxy-7-ethyl-4b,7,10a,12a-tetramethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1-carboxylic acid
Molecular Weight	472.32
Pubchem Id	16680126
Chembl Id	CHEMBL227444

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
P35222	BXGT009799	Catenin beta-1	reviewed	-	CTNNB1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01017	Xanthorrhoea resinosa	Xanthorrhoea resinosa	Medicinal Plant
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	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}