acompound

Showing entry for Cryptochlorogenic acid

General Compound Information
BXGC Id	BXGC0001859
Compound Name	Cryptochlorogenic acid
Structure
Formula	C16H18O9
InchiKey	GYFFKZTYYAFCTR-JUHZACGLSA-N
SMILES	O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O
Inchi	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
IUPAC	(1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Weight	354.31
Pubchem Id
Chembl Id	CHEMBL4203706

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

n.a

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

CHEMBL

CHEMBL4203706

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	43900	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00058	Coffee	Coffea	Coffee and coffee products
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00060	Robusta coffee	Coffea canephora	Coffee and coffee products
BXGF00069	Quince	Cydonia oblonga	Fruits
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00105	Apple	Malus pumila	Fruits
BXGF00145	Sweet cherry	Prunus avium	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00147	European plum	Prunus domestica	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00160	Rubus (Blackberry, Raspberry)	Rubus	Fruits
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00240	Jostaberry	Ribes × nidigrolaria	Fruits
BXGF00248	Beer		Beverages
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF01059	Adenia volkensii	Adenia volkensii	Medicinal Plant
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01336	Baccharis angustifolia	Baccharis angustifolia	Others
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01653	Iris pallasii	Iris pallasii	Others
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF06145	Euphorbia clarkeana	Euphorbia clarkeana	Others
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	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}