acompound

Showing entry for 3-Beta-Acetoxy-2-Alpha-Hydroxyurs-12-En-28-Oic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030568
Compound Name	3-Beta-Acetoxy-2-Alpha-Hydroxyurs-12-En-28-Oic Acid
Structure
Formula	C32H50O5
InchiKey	PCEBPJUHBOJBAJ-FXZBVTQXSA-N
SMILES	CC(=O)O[C@H]1[C@H](O)C[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@H](C)CC1)C(=O)O)C)C
Inchi	InChI=1S/C32H50O5/c1-18-11-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)9-10-24-29(6)17-22(34)26(37-20(3)33)28(4,5)23(29)12-13-31(24,30)8/h9,18-19,22-26,34H,10-17H2,1-8H3,(H,35,36)/t18-,19+,22-,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-acetyloxy-11-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	514.37
Pubchem Id	21578960
Chembl Id	CHEMBL518143

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	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	-	21500	-	-

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
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	IC50	'='	21500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04370	Monochaetum vulcanicum	Monochaetum vulcanicum	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}