acompound

Showing entry for Asperuloside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003976
Compound Name	Asperuloside
Structure
Formula	C18H22O11
InchiKey	IBIPGYWNOBGEMH-DILZHRMZSA-N
SMILES	CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23
Inchi	InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
IUPAC	[(4S,7S,8S,11S)-2-oxo-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0?,11]undeca-1(10),5-dien-6-yl]methyl acetate
Molecular Weight	414.36
Pubchem Id	84298
Chembl Id	CHEMBL461910

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
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF02031	Scopolia tangutica	Scopolia tangutica	Others
BXGF02052	Oldenlandia diffusa	Oldenlandia diffusa	Medicinal Plant
BXGF02158	Croton penduliflorus	Croton penduliflorus	Others
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02583	Hedyotis diffusae herba	Hedyotis diffusae herba	Others
BXGF02953	Populus tomentosa	Populus tomentosa	Medicinal Plant
BXGF03007	Litsea konishii	Litsea konishii	Others
BXGF03102	Vepris louisii	Vepris louisii	Medicinal Plant
BXGF03143	Asperula odora	Asperula odora	Medicinal Plant
BXGF03210	Alangium platanifolium	Alangium platanifolium	Medicinal Plant
BXGF03256	Platycodon grandiflorus	Platycodon grandiflorus	Medicinal Plant
BXGF04945	Lonchocarpus yucatanensis	Lonchocarpus yucatanensis	Others
BXGF05120	Rheum maximowiczii	Rheum maximowiczii	Medicinal Plant
BXGF05257	Morinda citrifolia	Morinda citrifolia	Medicinal Plant
BXGF05727	Cardopatium corymbosum	Cardopatium corymbosum	Others
BXGF05780	Sidastrum tehuacanum	Sidastrum tehuacanum	Others
BXGF05950	Lychnophora columnaris	Lychnophora columnaris	Others

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}