acompound

Showing entry for yibeinoside B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017539
Compound Name	yibeinoside B
Structure
Formula	C33H53NO7
InchiKey	BSSXNTZKMOAXRA-MXXYQIINSA-N
SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C[C@@H]2[C@@H]3C[C@@H]3[C@H]2CC[C@@H]2[C@H]3CN3C[C@@H](C)CC[C@H]3[C@@H]2C)C)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32+
IUPAC
Molecular Weight	575.38
Pubchem Id	192465
Chembl Id	CHEMBL4129894

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	11460	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	6800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01093	Fritillaria pallidiflora	Fritillaria pallidiflora	Medicinal Plant
BXGF02725	Fritillaria walujewii	Fritillaria walujewii	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}