acompound

Showing entry for (1S)-1alpha-(beta-D-Glucopyranosyloxy)-6beta-methoxy-8beta-methyl-4aalpha,5,8,8aalpha-tetrahydro-1H,6H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028663
Compound Name	(1S)-1alpha-(beta-D-Glucopyranosyloxy)-6beta-methoxy-8beta-methyl-4aalpha,5,8,8aalpha-tetrahydro-1H,6H-pyrano[3,4-c]pyran-4-carboxylic acid methyl ester
Structure
Formula	C18H28O11
InchiKey	IZODPOCIKVLNIL-BJTCBHOJSA-N
SMILES	CO[C@H]1O[C@@H](C)[C@@H]2[C@H](C1)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C(=O)OC
Inchi	InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11-,12+,13+,14-,15+,17-,18-/m0/s1
IUPAC	methyl (1S,3S,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
Molecular Weight	420.16
Pubchem Id	71451245
Chembl Id	CHEMBL2152454

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
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	32500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01788	Patrinia scabra	Patrinia scabra	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}