acompound

Showing entry for Citrusoside A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035570
Compound Name	Citrusoside A
Structure
Formula	C21H36O7
InchiKey	MHJOAVXYKHQVFT-NWECRORVSA-N
SMILES	C[C@H](CCC=C(C)C)C/C=C/C(=O)OC[C@H]1O[C@@H](OC(C)C)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H36O7/c1-13(2)8-6-9-15(5)10-7-11-17(22)26-12-16-18(23)19(24)20(25)21(28-16)27-14(3)4/h7-8,11,14-16,18-21,23-25H,6,9-10,12H2,1-5H3/b11-7+/t15-,16-,18-,19+,20-,21-/m1/s1
IUPAC	[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methyl (2E,5R)-5,9-dimethyldeca-2,8-dienoate
Molecular Weight	400.25
Pubchem Id	50901156
Chembl Id	CHEMBL1651084

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

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
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	376000	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	376000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04959	Citrus hystrix	Citrus hystrix	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}