acompound

Showing entry for Melilotoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018709
Compound Name	Melilotoside
Structure
Formula	C15H18O8
InchiKey	GVRIYIMNJGULCZ-ZMKUSUEASA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1
IUPAC	(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
Molecular Weight	326.1
Pubchem Id	5280759
Chembl Id	CHEMBL374212

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
P06756	BXGT006499	Integrin alpha-V	reviewed	-	ITGAV	IC50	'='	5	ug.mL-1
P05106	BXGT006315	Integrin beta-3	reviewed	Receptor	ITGB3	IC50	'='	5	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00935	Periploca calophylla	Periploca calophylla	Medicinal Plant
BXGF01772	Corydalis ochotensis	Corydalis ochotensis	Medicinal Plant
BXGF02277	Iberis amara	Iberis amara	Medicinal Plant
BXGF02327	Sophora tometosa	Sophora tometosa	Others
BXGF02378	Aster oharai	Aster oharai	Others
BXGF02428	Prumnopitys ferruginoides	Prumnopitys ferruginoides	Others
BXGF02520	Heliotropium amplexicaule	Heliotropium amplexicaule	Medicinal Plant
BXGF06043	Holboellia fargesi	Holboellia fargesi	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}