acompound

Showing entry for 3-Epioleanolic acid

General Compound Information
BXGC Id	BXGC0008469
Compound Name	3-Epioleanolic acid
Structure
Formula	C30H48O3
InchiKey	MIJYXULNPSFWEK-KDQGZELNSA-N
SMILES	[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
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
IUPAC	(4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Molecular Weight	456.7
Pubchem Id	11869658
Chembl Id	CHEMBL486382

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

50241532

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	5050	-	-
reviewed	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed		PTPN2	-	5100	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	22387	-	-

CHEMBL

CHEMBL486382

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
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	5100	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	5050	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	22387	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	21000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00073	Japanese persimmon	Diospyros kaki	Fruits
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00902	Liquidambar orientalis	Liquidambar orientalis	Medicinal Plant
BXGF01108	Eurybia divaricata	Eurybia divaricata	Garden Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF02052	Oldenlandia diffusa	Oldenlandia diffusa	Medicinal Plant
BXGF02476	Radermachera boniana	Radermachera boniana	Others
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF02583	Hedyotis diffusae herba	Hedyotis diffusae herba	Others
BXGF02664	Ligustrum lucidum	Ligustrum lucidum	Medicinal Plant
BXGF03006	Styrax	Styrax	Medicinal Plant
BXGF03048	Campsis grandiflora	Campsis grandiflora	Medicinal Plant
BXGF03069	Quercus canariensis	Quercus canariensis	Others
BXGF03105	Soulamea pancheri	Soulamea pancheri	Others
BXGF03139	Pinus longifolia	Pinus longifolia	Medicinal Plant
BXGF03161	Dendrobium chrysotoxum	Dendrobium chrysotoxum	Medicinal Plant
BXGF03334	Sciadotenia toxifera	Sciadotenia toxifera	Others
BXGF03341	Lycopus lucidus	Lycopus lucidus	Medicinal Plant
BXGF03524	Aglaia forbesii	Aglaia forbesii	Human Edible Plant
BXGF03558	Valeriana microphylla	Valeriana microphylla	Others
BXGF03569	Hydnocarpus hainanensis	Hydnocarpus hainanensis	Others
BXGF03611	Viscum coloratum	Viscum coloratum	Medicinal Plant
BXGF04235	Rubus chingii	Rubus chingii	Food Plant
BXGF04258	Rubia cordifolia	Rubia cordifolia	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04946	Erythrina variegate	Erythrina variegate	Others
BXGF04953	Polygonum aviculare	Polygonum aviculare	Medicinal Plant
BXGF04962	Forsythia suspense	Forsythia suspense	Others
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05911	Viscum album	Viscum album	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06113	Plantago depressa	Plantago depressa	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}