acompound

Showing entry for oroxindin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035278
Compound Name	oroxindin
Structure
Formula	C22H20O11
InchiKey	LNOHXHDWGCMVCO-NTKSAMNMSA-N
SMILES	COc1c(O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c2c1oc(cc2=O)c1ccccc1)O
Inchi	InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1
IUPAC	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Molecular Weight	460.1
Pubchem Id	3084961
Chembl Id	CHEMBL464732

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

n.a

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

CHEMBL

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
P35030	BXGT009784	Trypsin-3	reviewed	Enzyme	PRSS3	IC50	'>'	1000000	nM
P07478	BXGT006630	Trypsin-2	reviewed	Enzyme	PRSS2	IC50	'>'	1000000	nM
P07477	BXGT006629	Trypsin-1	reviewed	Enzyme	PRSS1	IC50	'>'	1000000	nM
P35030	BXGT009784	Trypsin-3	reviewed	Enzyme	PRSS3	Activity	-	-	-
P07478	BXGT006630	Trypsin-2	reviewed	Enzyme	PRSS2	Activity	-	-	-
P07477	BXGT006629	Trypsin-1	reviewed	Enzyme	PRSS1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00149	Peach	Prunus persica	Fruits
BXGF01886	Crambe hispanica subsp. abyssinica	Crambe hispanica subsp. abyssinica	Human Edible Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02087	Utricularia vulgaris	Utricularia vulgaris	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02325	Helichrysum lindleyi	Helichrysum lindleyi	Others
BXGF02490	Stizophyllum riparium	Stizophyllum riparium	Others
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF04155	Vincetoxicum amplexicaule	Vincetoxicum amplexicaule	Others
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04750	Scutellaria baicalensis	Scutellaria baicalensis	Medicinal Plant
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF05115	Andrographis paniculata	Andrographis paniculata	Medicinal Plant
BXGF05185	Parinari campestris	Parinari campestris	Human Edible Plant
BXGF05877	Rheum tanguticum	Rheum tanguticum	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}