Oleanolic_Acid

Representations & DB's id
ChEBI:	CHEBI:37659
ChEMBL:	CHEMBL168
PubChem:	10494
IUPAC:	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Standard InChI:	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
Standard InChI Key:	MIJYXULNPSFWEK-GTOFXWBISA-N
SMILES:	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]2CC(C)(C)CC1)C(=O)O)C)C

Molecular propeties
AlogP:	7.23
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	Vitis vinifera
Plant	Polygonum aviculare
Plant	Punica granatum
Plant	Punica granatum
Plant	Punica granatum
Plant	Panax ginseng
Plant	Aralia elata
Plant	Malva sylvestris
Plant	Ocimum gratissimum
Plant	Melissa officinalis
Plant	Nerium oleander
Plant	Nerium oleander
Plant	Orthosiphon stamineus
Plant	Plantago major
Plant	Beta vulgaris
Plant	Polemonium caeruleum
Plant	Glycyrrhiza glabra
Plant	Glycyrrhiza uralensis
Plant	Xylosalsola richteri
Plant	Foeniculum vulgare
Plant	Viola odorata
Plant	Camellia sinensis
Plant	Vaccinium myrtillus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	40000 nM	Nitric oxide synthase, inducible	P35228
IC50	3900 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	7600 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	31330 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
EC50	0 nM	Bile acid receptor FXR	Q96RI1
IC50	4200 nM	Protein-tyrosine phosphatase 1B	P18031
Potency	28183.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	23099.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
IC50	3840 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	5600 nM	Protein-tyrosine phosphatase 1B	P18031
Potency	517.4 nM	Geminin	O75496
IC50	22900 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
IC50	21200 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
IC50	9500 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	11800 nM	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586
Ki	6000 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	4000 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	3560 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	660 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	940 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	160 nM	Aldo-keto reductase family 1 member B10	O60218
Ki	72 nM	Aldo-keto reductase family 1 member B10	O60218
IC50	124000 nM	Aldose reductase	P15121
IC50	90 nM	Aldo-keto reductase family 1 member B10	O60218
IC50	5050.1 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3370 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	2600 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1100 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1.17 ug/ml	Protein-tyrosine phosphatase 1B	P18031
IC50	3020 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	2010 nM	Protein-tyrosine phosphatase 1B	P18031
Others	0.74	DNA topoisomerase II alpha	P11388
Others	0.84	DNA topoisomerase I	P11387
Others	275.8 nM	DNA topoisomerase II alpha	P11388
Others	0.265 nM	DNA topoisomerase I	P11387
IC50	1900 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	4230 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	4440 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	3020 nM	Protein-tyrosine phosphatase 1B	P18031
Others	50 %	Protein-tyrosine phosphatase 1C	P29350
Others	50 %	Protein-tyrosine phosphatase 2C	Q06124
Others	50 %	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586
IC50	980 nM	Dual specificity phosphatase Cdc25B	P30305
IC50	5.5 ug/ml	T-cell protein-tyrosine phosphatase	P17706
IC50	0.85 ug/ml	Protein-tyrosine phosphatase 1B	P18031
Others	70 %	Protein-tyrosine phosphatase 1B	P18031
Others	85 %	Protein-tyrosine phosphatase 1B	P18031
IC50	9500 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	21200 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
IC50	22900 nM	Low molecular weight phosphotyrosine protein phosphatase	P24666
Ki	6000 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1030 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1170 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3020 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	1.17 ug/ml	Protein-tyrosine phosphatase 1B	P18031
IC50	1000 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	5460 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	1536 nM	Protein-tyrosine phosphatase 1B	P18031
Others	1 %	Monoglyceride lipase	Q99685
IC50	700 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	700 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	5460 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	1536 nM	Protein-tyrosine phosphatase 1B	P18031
Others	117.1 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874
Others	100.9 %	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874
IC50	730 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	3020 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	120000 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	120000 nM	Protein-tyrosine phosphatase 1C	P29350
IC50	120000 nM	Protein-tyrosine phosphatase 2C	Q06124
IC50	120000 nM	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586
IC50	1536 nM	Protein-tyrosine phosphatase 1B	P18031
IC50	5460 nM	T-cell protein-tyrosine phosphatase	P17706
IC50	14190 nM	Protein-tyrosine phosphatase 1C	P29350
IC50	11620 nM	Protein-tyrosine phosphatase 2C	Q06124
IC50	22310 nM	Receptor-type tyrosine-protein phosphatase F (LAR)	P10586

Oleanolic_Acid

Representations & DB's id

Molecular propeties

Plant sources

In vitro data