acompound

Showing entry for Ursonic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036596
Compound Name	Ursonic Acid
Structure
Formula	C30H46O3
InchiKey	MUCRYNWJQNHDJH-OADIDDRXSA-N
SMILES	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C(=O)O
Inchi	InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
IUPAC	(1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	454.34
Pubchem Id	9890209
Chembl Id	CHEMBL487887

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

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
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	RORC	Nuclear receptor	-	-	-	-

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	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	>500000	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	57000	-	-

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	'>'	500000	nM
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'='	37500	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	57000	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	57543	nM
P07339	BXGT006604	Cathepsin D	reviewed	Enzyme	CTSD	IC50	'='	6	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01112	Garcinia cantleyana	Garcinia cantleyana	Others
BXGF01432	Lonicera korolkowii	Lonicera korolkowii	Others
BXGF02733	Pteris aquilina	Pteris aquilina	Medicinal Plant
BXGF03062	Daphne aurantiaca	Daphne aurantiaca	Others
BXGF04240	Portulaca pilosa	Portulaca pilosa	Medicinal Plant
BXGF04270	Croton steenkampianus	Croton steenkampianus	Others
BXGF05077	Eriostemon brucei	Eriostemon brucei	Others
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	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}