acompound

Showing entry for Aureusidin-6-O-Beta-D-Glucopyranoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019105
Compound Name	Aureusidin-6-O-Beta-D-Glucopyranoside
Structure
Formula	C21H20O11
InchiKey	AMJCTDBATIKENQ-YRDFTBLNSA-N
SMILES	OC[C@H]1O[C@@H](Oc2cc3O/C(=C\c4ccc(c(c4)O)O)/C(=O)c3c(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1
IUPAC	(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Molecular Weight	448.1
Pubchem Id	5321164
Chembl Id	CHEMBL2417912

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	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	-	24330	-	-
reviewed	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	-	22320	-	-

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
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	IC50	'='	24330	nM
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	IC50	'='	24330	nM
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Activity	'='	-4	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Activity	'='	-4	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Activity	'='	-65	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Activity	'='	-65	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Activity	'='	-5	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Activity	'='	-5	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Activity	'='	-20	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Activity	'='	-20	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	IC50	'='	22320	nM
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	IC50	'='	22320	nM
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Activity	'='	-2	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Activity	'='	-2	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00054	Lemon	Citrus limon	Fruits

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}