Ursolic Acid

Representations & DB's id
ChEBI:	CHEBI:9908
ChEMBL:	CHEMBL169
PubChem:	64945
IUPAC:	(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-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
Standard InChI:	InChI=1S/C30H48O3/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/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
Standard InChI Key:	WCGUUGGRBIKTOS-GPOJBZKASA-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)CC[C@@H](C1(C)C)O)C(=O)O

Molecular propeties
AlogP:	7.09
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	5
Molecular Weight:	456.36
Topological polar surface area:	57.5
Number of aromatic rings:	0
Fsp3:	0.9
Number of carbons:	30

Plant sources

Part of plant	Plant name	Ref.
Plant	Punica granatum
Plant	Punica granatum
Plant	Cydonia oblonga
Plant	Salix alba
Plant	Polygala amarella
Plant	Arctium lappa
Plant	Malva sylvestris
Plant	Nerium oleander
Plant	Nerium oleander
Plant	Orthosiphon stamineus
Plant	Leonurus cardiaca
Plant	Prunus domestica
Plant	Vaccinium vitis-idaea
Plant	Thermopsis lanceolata
Plant	Camellia sinensis
Plant	Bidens tripartita

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	3100 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	25780 nM	Protein-tyrosine phosphatase 1C	P29350
IC50	40000 nM	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586
IC50	40000 nM	Receptor-type tyrosine-protein phosphatase alpha	P18433
IC50	40000 nM	Receptor-type tyrosine-protein phosphatase epsilon	P23469
IC50	3800 nM	Protein-tyrosine phosphatase 1B	P18031
EC50	0 nM	Bile acid receptor FXR	Q96RI1
IC50	3900 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1900 nM	11-beta-hydroxysteroid dehydrogenase 1	P28845
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
Potency	158.5 nM	ATP-dependent DNA helicase Q1	P46063
Potency	11220.2 nM	Histone acetyltransferase GCN5	Q92830
IC50	3100 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
EC50	41310 nM	Peroxisome proliferator-activated receptor alpha	Q07869
Others	214 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	46 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	185 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	134 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	156 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	195 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	1021 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	23 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	15 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	28 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	24 %	Peroxisome proliferator-activated receptor alpha	Q07869
Others	259 %	Peroxisome proliferator-activated receptor alpha	Q07869
IC50	3100 nM	Protein-tyrosine phosphatase 1B	P18031
Potency	17782.8 nM	Glutaminase kidney isoform, mitochondrial	O94925
IC50	2300 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	11100 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
IC50	7200 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
IC50	3800 nM	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586
Ki	3400 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
Ki	6000 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	3700 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	2100 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	2800 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	2000 nM	Aldo-keto reductase family 1 member B10	O60218
IC50	41000 nM	Aldose reductase	P15121
IC50	4000 nM	Aldo-keto reductase family 1 member B10	O60218
IC50	3080 nM	Protein-tyrosine phosphatase 1B	P18031
Others	97.6 %	Lysosomal alpha-glucosidase	P10253
IC50	4.42 ug/ml	Lysosomal alpha-glucosidase	P10253
IC50	3080 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3080 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	18200 nM	Cathepsin D	P07339
IC50	2400 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	2750 nM	Protein-tyrosine phosphatase 1B	P18031
Others	96.7 %	Protein-tyrosine phosphatase 1B	P18031
IC50	4120 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	680 nM	Nuclear receptor ROR-gamma	P51449
IC50	130 nM	Nuclear receptor ROR-gamma	P51449
IC50	1060 nM	Nuclear receptor ROR-gamma	P51449
IC50	9410 nM	Nuclear receptor ROR-gamma	P51449
IC50	4000 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3500 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3400 nM	Protein-tyrosine phosphatase 1B	P18031
Ki	6400 nM	Protein-tyrosine phosphatase 1B	P18031
Others	113.9 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874
Others	102.2 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874
IC50	15500 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	5200 nM	Protein-tyrosine phosphatase 1B	P18031
Others	45 %	Protein-tyrosine phosphatase 1B	P18031
IC50	3600 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	32000 nM	Cytochrome P450 19A1	P11511

Ursolic Acid

Representations & DB's id

Molecular propeties

Plant sources

In vitro data