acompound

Showing entry for Benzyl alcohol beta-D-rutinoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004002
Compound Name	Benzyl alcohol beta-D-rutinoside
Structure
Formula	C19H28O10
InchiKey	SMUMBCREXHTKFN-VZOUQOBNSA-N
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Inchi	InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1
IUPAC	(2R,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
Molecular Weight	416.42
Pubchem Id	10549806
Chembl Id	CHEMBL511744

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	'='	54	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF02845	Erica arborea	Erica arborea	Medicinal Plant
BXGF04453	Idesia polycarpa	Idesia polycarpa	Medicinal Plant
BXGF05027	dracocephalum ruyschiana	dracocephalum ruyschiana	Others
BXGF05327	Isodon lihsienensis	Isodon lihsienensis	Medicinal Plant
BXGF05509	Davallia mariesii	Davallia mariesii	Medicinal Plant
BXGF05686	Phoebe clemensii	Phoebe clemensii	Others
BXGF06318	Acacia confusa	Acacia confusa	Human Edible 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}