acompound

Showing entry for Castanospermine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016028
Compound Name	Castanospermine
Structure
Formula	C8H15NO4
InchiKey	JDVVGAQPNNXQDW-TVNFTVLESA-N
SMILES	O[C@@H]1[C@@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2
Inchi	InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1
IUPAC	(1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
Molecular Weight	189.1
Pubchem Id	54445
Chembl Id	CHEMBL311226

Targets of Information Source

DrugBank

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
P29717	BXGT009375	Glucan 1,3-beta-glucosidase	reviewed	-	XOG1	experimental	-

PDB

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
P29717	BXGT009375	Glucan 1,3-beta-glucosidase	reviewed	XOG1	-	-	-	-	-
Q08638	BXGT012997	Beta-glucosidase A	reviewed	bglA	-	-	-	2100	-
G8JZS4	BXGT003556	Glucan 1,4-alpha-glucosidase SusB	reviewed	susB	-	59000	-	-	-
Q2PS28	BXGT014157	Sucrose isomerase	unreviewed	mutB	-	15000	-	-	-
Q46342	BXGT014636	Cytotoxin L	unreviewed		-	-	~30000	-	-
P48825	BXGT010665	Beta-glucosidase 1	reviewed		-	6600	-	-	-
Q8BHN3	BXGT017912	Neutral alpha-glucosidase AB	reviewed	Ganab	-	-	-	-	-

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
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	3548	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	3548	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	5011	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	354	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	11220	nM
P04062	BXGT006140	Lysosomal acid glucosylceramidase	reviewed	-	GBA	Potency	-	14125	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	1980	nM
Q9HCG7	BXGT020533	Non-lysosomal glucosylceramidase	reviewed	-	GBA2	IC50	'='	19000	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	-	562	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	39810	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	'='	1258	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	0	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-10	%
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	44668	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	Potency	-	1258	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00845	Castanospermum australe	Castanospermum australe	Vegetables
BXGF00916	Erythrina speciosa	Erythrina speciosa	Others
BXGF00978	Prunus prostrata	Prunus prostrata	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF02560	Richteria pyrethroides	Richteria pyrethroides	Others
BXGF03204	Xanthocercis zambesiaca	Xanthocercis zambesiaca	Others
BXGF04099	Piper divaricatum	Piper divaricatum	Others
BXGF04110	Helichrysum drakensbergense	Helichrysum drakensbergense	Others
BXGF04167	Santolina pectinata	Santolina pectinata	Others
BXGF04185	Prosopis africana	Prosopis africana	Medicinal Plant
BXGF04364	Commiphora sphaerocarpa	Commiphora sphaerocarpa	Others
BXGF04374	Satureja vulgaris	Satureja vulgaris	Others
BXGF05068	aglaonema treubii	aglaonema treubii	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}