acompound

Showing entry for Isochlorogenic acid

General Compound Information
BXGC Id	BXGC0002826
Compound Name	Isochlorogenic acid
Structure
Formula	C16H18O9
InchiKey	CWVRJTMFETXNAD-DUXPYHPUSA-N
SMILES	OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)C(O)=O
Inchi	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+
IUPAC	3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Weight	354.31
Pubchem Id	5315832
Chembl Id

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

153327

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	BXGT012241	Decaprenyl diphosphate synthase	reviewed		uppS	-	2300	-	-

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00016	Peanut	Arachis hypogaea	Nuts
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00069	Quince	Cydonia oblonga	Fruits
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00092	Sweet potato	Ipomoea batatas	Vegetables
BXGF00105	Apple	Malus pumila	Fruits
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00135	Date	Phoenix dactylifera	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00147	European plum	Prunus domestica	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00152	Pear	Pyrus communis	Fruits
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00363	Wild leek	Allium ampeloprasum	Vegetables
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00823	Fruits		Fruits
BXGF01283	Crataegus pinnatifida	Crataegus pinnatifida	Medicinal Plant
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02393	Lonicera macranthoides	Lonicera macranthoides	Medicinal Plant
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03240	Lonicera hypoglauca	Lonicera hypoglauca	Medicinal Plant
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03889	Lonicera fulvotomentosa	Lonicera fulvotomentosa	Medicinal Plant
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04845	Sarcandra glabra	Sarcandra glabra	Medicinal Plant
BXGF05204	Erigeron breviscapus	Erigeron breviscapus	Medicinal Plant
BXGF05304	Lonicera confusa	Lonicera confusa	Medicinal Plant
BXGF05778	Stellera chamaejasme	Stellera chamaejasme	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal 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}