acompound

Showing entry for (2R,3S,4S,10Bs)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[3,2-C]Isochromen-6-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044187
Compound Name	(2R,3S,4S,10Bs)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[3,2-C]Isochromen-6-One
Structure
Formula	C14H16O9
InchiKey	YWJXCIXBAKGUKZ-KRGNRWPNSA-N
SMILES	OC[C@H]1O[C@@H]2C([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC
Inchi	InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13?/m1/s1
IUPAC	(2R,3S,4S,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Molecular Weight	328.08
Pubchem Id	24982180
Chembl Id	CHEMBL1512567

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
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	631	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	11220	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01715	Bergenia purpurascens	Bergenia purpurascens	Medicinal Plant
BXGF02561	Dysosma versipellis	Dysosma versipellis	Medicinal Plant
BXGF02939	Saxifraga stolonifera	Saxifraga stolonifera	Medicinal Plant
BXGF04132	Mallotus philippensis	Mallotus philippensis	Medicinal Plant
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05711	Bergenia crassifolia	Bergenia crassifolia	Medicinal Plant
BXGF05752	Astilbe chinensis	Astilbe chinensis	Medicinal Plant
BXGF05762	Ardisia hortorum	Ardisia hortorum	Medicinal Plant
BXGF05800	Mimosa pudica	Mimosa pudica	Medicinal Plant
BXGF05966	Symplocos chinensis	Symplocos chinensis	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}