acompound

Showing entry for vanilloloside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021442
Compound Name	vanilloloside
Structure
Formula	C14H20O8
InchiKey	SIMPNXWTAVEOTO-RKQHYHRCSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)CO)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
IUPAC	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
Molecular Weight	316.12
Pubchem Id	44577222
Chembl Id	CHEMBL468568

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	41	%

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
BXGF01495	Pleione yunnanensis	Pleione yunnanensis	Others
BXGF01857	Acer saccharum	Acer saccharum	Medicinal Plant
BXGF02243	Scopolia parviflora	Scopolia parviflora	Medicinal Plant
BXGF02496	Pleione bulbocodioides	Pleione bulbocodioides	Others
BXGF02499	Cremastra appendiculata	Cremastra appendiculata	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF06161	Epimedium wushanense	Epimedium wushanense	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}