acompound

Showing entry for O-Acetylursolic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014262
Compound Name	O-Acetylursolic Acid
Structure
Formula	C32H50O4
InchiKey	PHFUCJXOLZAQNH-OTMOLZNZSA-N
SMILES	CC(=O)O[C@H]1CC[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/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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	498.37
Pubchem Id	6475119
Chembl Id	CHEMBL410525

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	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	131000	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	42	ug.mL-1
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	354	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	39810	nM
P05227	BXGT006343	Histidine-rich protein PFHRP-II	reviewed	-		Inhibition	'='	0	%
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	562	nM
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	2828	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	131825	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	131000	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	3981	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	19952	nM
P07339	BXGT006604	Cathepsin D	reviewed	Enzyme	CTSD	Inhibition	-	-	-
P09810	BXGT006924	Tryptophan 5-hydroxylase 1	reviewed	-	Tph1	Inhibition	'='	1	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00804	Chinese bayberry	Myrica rubra	Fruits
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF02009	Phyllosma capensis	Phyllosma capensis	Others
BXGF02035	Proustia ilicifolia	Proustia ilicifolia	Others
BXGF02664	Ligustrum lucidum	Ligustrum lucidum	Medicinal Plant
BXGF02681	Ficus microcarpa	Ficus microcarpa	Medicinal Plant
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF05010	Morella rubra	Morella rubra	0
BXGF05160	Chaenomeles speciosa	Chaenomeles speciosa	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}