acompound

Showing entry for Oleanolic acid 3-acetate

General Compound Information
BXGC Id	BXGC0003803
Compound Name	Oleanolic acid 3-acetate
Structure
Formula	C32H50O4
InchiKey	RIXNFYQZWDGQAE-DFHVBEEKSA-N
SMILES	[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C)OC(C)=O
Inchi	InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
IUPAC	(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(acetyloxy)-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	498.75
Pubchem Id	151202
Chembl Id	CHEMBL486822

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

50102741

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	-	21500	-	-

CHEMBL

CHEMBL486822

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	37	%
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'='	3400	nM
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'>'	200600	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	Activity	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	85	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	24	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	21500	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Activity	'='	75	%
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	-	-	-
P11597	BXGT007727	Cholesteryl ester transfer protein	reviewed	-	CETP	Inhibition	'='	38	%
P11597	BXGT007727	Cholesteryl ester transfer protein	reviewed	-	CETP	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00269	Asian pear	Pyrus pyrifolia	Fruits
BXGF00481	Black-eyed pea	Vigna unguiculata ssp. unguiculata	Pulses
BXGF01634	Ligustrum japonicus	Ligustrum japonicus	Others
BXGF01681	Barleria acanthoides	Barleria acanthoides	Medicinal Plant
BXGF01853	Ilex pubescens	Ilex pubescens	Others
BXGF02009	Phyllosma capensis	Phyllosma capensis	Others
BXGF02035	Proustia ilicifolia	Proustia ilicifolia	Others
BXGF02336	Marrubium globosum	Marrubium globosum	Others
BXGF02357	Euodia bodinieri	Euodia bodinieri	Others
BXGF02475	Uncaria sessilifructus	Uncaria sessilifructus	Medicinal Plant
BXGF02664	Ligustrum lucidum	Ligustrum lucidum	Medicinal Plant
BXGF02767	Aloe nobilis	Aloe nobilis	Others
BXGF02783	Hexalobus crispiflorus	Hexalobus crispiflorus	Medicinal Plant
BXGF02837	Tsuga heterophylla	Tsuga heterophylla	Medicinal Plant
BXGF02899	Euodia lunu-ankenda	Euodia lunu-ankenda	Others
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03325	Hyperbaena columbica	Hyperbaena columbica	Others
BXGF03349	Persicaria filiformis	Persicaria filiformis	Others
BXGF03522	Euptelea polyandra	Euptelea polyandra	Medicinal Plant
BXGF03800	Primula integrifolia	Primula integrifolia	Others
BXGF04121	Cordia elaeagnoides	Cordia elaeagnoides	Others
BXGF04222	Viburnum grandifolium	Viburnum grandifolium	Others
BXGF04258	Rubia cordifolia	Rubia cordifolia	Medicinal Plant
BXGF04387	Adenocarpus hispanicus	Adenocarpus hispanicus	Others
BXGF04393	Eysenhardtia platycarpa	Eysenhardtia platycarpa	Others
BXGF04410	Campylopus clavatus	Campylopus clavatus	Others
BXGF04440	Viola odorata	Viola odorata	Medicinal Plant
BXGF04459	Cissus tricuspidata	Cissus tricuspidata	Others
BXGF04473	Rhododendron maximum	Rhododendron maximum	Others
BXGF04487	Acritopappus longifolius	Acritopappus longifolius	Others
BXGF04491	Sarracenia flava	Sarracenia flava	Medicinal Plant
BXGF04719	Radermachera xylocarpa	Radermachera xylocarpa	Medicinal Plant
BXGF04854	Virola oleifera	Virola oleifera	Medicinal Plant
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05031	Echinops kebericho	Echinops kebericho	Human Edible Plant
BXGF05076	Anemone narcissiflora	Anemone narcissiflora	Medicinal Plant
BXGF05356	Euodia officinalis	Euodia officinalis	Others
BXGF05565	Coprosma australis	Coprosma australis	Medicinal Plant
BXGF05856	Isodon leucophyllus	Isodon leucophyllus	Medicinal Plant
BXGF05864	Ptelea viscosa	Ptelea viscosa	Others
BXGF05983	Stylotrichium rotundifolium	Stylotrichium rotundifolium	Others
BXGF06002	Euodia ruticarpa	Euodia ruticarpa	Others
BXGF06160	Tasmannia lanceolata	Tasmannia lanceolata	Human Edible Plant
BXGF06170	Asclepias curassavica	Asclepias curassavica	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}