acompound

Showing entry for Chicoric Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031564
Compound Name	Chicoric Acid
Structure
Formula	C22H18O12
InchiKey	YDDGKXBLOXEEMN-QFZCZCNSSA-N
SMILES	O=C(O[C@@H]([C@@H](C(=O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m0/s1
IUPAC	(2S,3S)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Molecular Weight	474.08
Pubchem Id	5470299
Chembl Id	CHEMBL29660

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	BXGT007528	Botulinum neurotoxin type A	reviewed		botA	1600	-	-	-
reviewed	BXGT007528	Botulinum neurotoxin type A	reviewed		botA	6700	-	-	-
reviewed	BXGT007528	Botulinum neurotoxin type A	reviewed		botA	3900	-	-	-
reviewed	BXGT007528	Botulinum neurotoxin type A	reviewed		botA	1400	-	-	-

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	500	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	1100	nM
P0DPI0	BXGT007528	Botulinum neurotoxin type A	reviewed	-	botA	Ki	'='	3900	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	70	nM
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'='	300	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	100	%
P0DPI0	BXGT007528	Botulinum neurotoxin type A	reviewed	-	botA	Ki	'='	1600	nM
P0DPI0	BXGT007528	Botulinum neurotoxin type A	reviewed	-	botA	Ki	'='	1400	nM
P0DPI0	BXGT007528	Botulinum neurotoxin type A	reviewed	-	botA	Ki	'='	6700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04698	Isodon rubescens	Isodon rubescens	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}