acompound

Showing entry for Oleanonic Acid

General Compound Information
BXGC Id	BXGC0035706
Compound Name	Oleanonic Acid
Structure
Formula	C30H46O3
InchiKey	FMIMFCRXYXVFTA-FUAOEXFOSA-N
SMILES	OC(=O)[C@]12CC[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CCC(=O)C3(C)C)[C@@H]2CC(CC1)(C)C)C
Inchi	InChI=1S/C30H46O3/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/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	454.34
Pubchem Id	12313704
Chembl Id	CHEMBL470029

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

50346613

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	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	17900	-	-
reviewed	BXGT009800	Nitric oxide synthase, inducible	reviewed		NOS2	-	37000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	3500	-	-

CHEMBL

CHEMBL470029

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	8	%
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	18000	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	17900	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	5320	nM
P35228	BXGT009800	Nitric oxide synthase, inducible	reviewed	-	NOS2	IC50	'='	37000	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	5630	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	17782	nM
P13726	BXGT007950	Tissue factor	reviewed	Receptor	F3	IC50	'='	0	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	3500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00902	Liquidambar orientalis	Liquidambar orientalis	Medicinal Plant
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01431	Diospyros dendo	Diospyros dendo	Human Edible Plant
BXGF01439	Xylosalsola richteri	Xylosalsola richteri	Others
BXGF01477	Schefflera heptaphylla	Schefflera heptaphylla	Medicinal Plant
BXGF01487	Styrax tonkinensis	Styrax tonkinensis	Medicinal Plant
BXGF01651	Pedicularis plicata	Pedicularis plicata	Others
BXGF01735	Sonchus gummifer	Sonchus gummifer	Others
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF02020	Stephania hispidula	Stephania hispidula	Others
BXGF02168	Micranthes stellaris	Micranthes stellaris	Others
BXGF02304	Rabdosia flexicaulis	Rabdosia flexicaulis	Others
BXGF02355	Baccharis sarothroides	Baccharis sarothroides	Others
BXGF02458	Ipomoea hederacea	Ipomoea hederacea	Medicinal Plant
BXGF02535	Andropogon laniger	Andropogon laniger	Medicinal Plant
BXGF02598	Narcissus tazetta	Narcissus tazetta	Medicinal Plant
BXGF02619	Liquidambar formosana	Liquidambar formosana	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF02743	Malus sieboldii	Malus sieboldii	Medicinal Plant
BXGF02835	Oxytropis pseudoglandulosa	Oxytropis pseudoglandulosa	Others
BXGF03006	Styrax	Styrax	Medicinal Plant
BXGF04844	Primula veris	Primula veris	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF04988	Xyris semifuscata	Xyris semifuscata	Others
BXGF05417	Diphylleia grayi	Diphylleia grayi	Medicinal Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05739	Ixora coccinea	Ixora coccinea	Medicinal Plant
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	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}