acompound

Showing entry for (2R,3S,4R,5R,6S)-2-[[(1As,1Bs,2S,5Ar,6S,6As)-1A-(Hydroxymethyl)-6-Methoxy-2,5A,6,6A-Tetrahydro-1Bh-Oxireno[5,6]Cyclopenta[1,3-C]Pyran-2-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030411
Compound Name	(2R,3S,4R,5R,6S)-2-[[(1As,1Bs,2S,5Ar,6S,6As)-1A-(Hydroxymethyl)-6-Methoxy-2,5A,6,6A-Tetrahydro-1Bh-Oxireno[5,6]Cyclopenta[1,3-C]Pyran-2-Yl]Oxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol
Structure
Formula	C16H24O10
InchiKey	CQHVYUDLQLYNAI-ZVQRBJDRSA-N
SMILES	CO[C@H]1[C@@H]2C=CO[C@H]([C@@H]2[C@@]2([C@H]1O2)CO)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C16H24O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h2-3,6-15,17-21H,4-5H2,1H3/t6-,7+,8-,9+,10-,11+,12+,13+,14+,15-,16-/m1/s1
IUPAC	(2R,3S,4R,5R,6S)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-6-methoxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	376.14
Pubchem Id	44144291
Chembl Id	CHEMBL1608702

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
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01941	Scrophularia nodosa	Scrophularia nodosa	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}