acompound

Showing entry for Cnicin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044780
Compound Name	Cnicin
Structure
Formula	C20H26O7
InchiKey	ZTDFZLVUIVPZDU-ZWSPDTATSA-N
SMILES	OC/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C/C(=C\CC1)/C)OC(=O)C(=C)[C@@H](CO)O
Inchi	InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8-/t15-,16+,17-,18-/m1/s1
IUPAC
Molecular Weight	378.17
Pubchem Id
Chembl Id	CHEMBL1257707

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	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	16700	-	-
reviewed	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	10300	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	17906	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	17920	-	-

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
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	17906	nM
Q9HVW7	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	Inhibition	'='	64	%
Q9HVW7	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	10300	nM
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	16700	nM
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	-	-	-
P53582	BXGT010997	Methionine aminopeptidase 1	reviewed	Enzyme	METAP1	Inhibition	-	-	-
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	Inhibition	-	-	-
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	17920	nM
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	Activity	-	-	-
P50579	BXGT010812	Methionine aminopeptidase 2	reviewed	-	METAP2	Inhibition	'='	9	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03286	Centaurea spinosa	Centaurea spinosa	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}