acompound

Showing entry for Neodysiherbaine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020619
Compound Name	Neodysiherbaine A
Structure
Formula	C11H17NO8
InchiKey	NRTJEXLNSCGBJU-FQYLSUDWSA-N
SMILES	OC(=O)[C@H](C[C@@]1(C[C@@H]2[C@H](O1)[C@H](O)[C@@H](CO2)O)C(=O)O)N
Inchi	InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7+,8-,11+/m0/s1
IUPAC	(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-carboxylic acid
Molecular Weight	291.1
Pubchem Id	11460505
Chembl Id	CHEMBL221868

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

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
P39086	BXGT010093	Glutamate receptor ionotropic, kainate 1	reviewed	GRIK1	Ion channel	7.7	-	-	-
Q13002	BXGT013303	Glutamate receptor ionotropic, kainate 2	reviewed	GRIK2	Ion channel	33	-	-	-

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01590	Viguiera cordifolia	Viguiera cordifolia	Others
BXGF01692	Achillea leptophylla	Achillea leptophylla	Medicinal Plant
BXGF01740	Oxybasis urbica	Oxybasis urbica	Others
BXGF02216	Zieria chevalieri	Zieria chevalieri	Others
BXGF02312	Alibertia macrophylla	Alibertia macrophylla	Others
BXGF02418	Dorstenia barnimiana	Dorstenia barnimiana	Human Edible Plant
BXGF02591	Uvaria mocoli	Uvaria mocoli	Medicinal Plant
BXGF02602	Sedum forsterianum	Sedum forsterianum	Medicinal Plant
BXGF05352	Dioscorea futschauensis	Dioscorea futschauensis	Medicinal Plant
BXGF05917	Verbascum georgicum	Verbascum georgicum	Others
BXGF06138	Rubia ustulata	Rubia ustulata	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}