acompound

Showing entry for helicide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028048
Compound Name	helicide
Structure
Formula	C13H16O7
InchiKey	OLZAGZCCJJBKNZ-SYLRKERUSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2)C=O)[C@@H]([C@@H]([C@@H]1O)O)O
Inchi	InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
IUPAC	4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Molecular Weight	284.09
Pubchem Id	12896796
Chembl Id	CHEMBL201358

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	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	-	>1000000	-	-
reviewed	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	-	>1000000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	2540000	-	-

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
P80404	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	IC50	'>'	1000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	10	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	2540000	nM
P51649	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	IC50	'>'	1000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
P04058	BXGT006139	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	24	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Activity	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03903	Helicia nilagirica	Helicia nilagirica	Human Edible 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}