acompound

Showing entry for Jasmonic acid

General Compound Information
BXGC Id	BXGC0008138
Compound Name	Jasmonic acid
Structure
Formula	C12H18O3
InchiKey	ZNJFBWYDHIGLCU-HWKXXFMVSA-N
SMILES	CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
Inchi	InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
IUPAC	2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetic acid
Molecular Weight	210.27
Pubchem Id	5281166
Chembl Id	CHEMBL449572

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

JAA

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
Q9SKE2	BXGT021590	Jasmonoyl--L-amino acid synthetase JAR1	reviewed	JAR1	-	-	-	-	-

Binding DB

50396691

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	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	21000	-	-	-
reviewed	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	15000	-	-	-
reviewed	BXGT012787	Aldo-keto reductase family 1 member C1	reviewed	Enzyme	AKR1C1	106000	-	-	-
reviewed	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	162000	-	-	-
reviewed	BXGT008313	Aldo-keto reductase family 1 member C4	reviewed	Enzyme	AKR1C4	37000	-	-	-
reviewed	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	18000	-	-	-

CHEMBL

CHEMBL449572

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
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	Ki	'='	162000	nM
Q04828	BXGT012787	Aldo-keto reductase family 1 member C1	reviewed	Enzyme	AKR1C1	Ki	'='	106000	nM
P17516	BXGT008313	Aldo-keto reductase family 1 member C4	reviewed	Enzyme	AKR1C4	Ki	'='	37000	nM
P52895	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	Ki	'='	18000	nM
P42330	BXGT010301	Aldo-keto reductase family 1 member C3	reviewed	Enzyme	AKR1C3	Ki	'='	21000	nM
P52895	BXGT010961	Aldo-keto reductase family 1 member C2	reviewed	Enzyme	AKR1C2	Ki	'='	15000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00028	Swede	Brassica napus	Vegetables
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00132	Scarlet bean	Phaseolus coccineus	Pulses
BXGF00134	Common bean	Phaseolus vulgaris	Pulses
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00169	Rye	Secale cereale	Cereals and cereal products
BXGF00174	Eggplant	Solanum melongena	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00261	Winter squash	Cucurbita maxima	Gourds
BXGF00348	Hyacinth bean	Lablab purpureus	Pulses
BXGF00352	Japanese chestnut	Castanea crenata	Nuts
BXGF00354	Jerusalem artichoke	Helianthus tuberosus	Vegetables
BXGF00370	White lupine	Lupinus albus	Pulses
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00834	Yellow wax bean	Phaseolus vulgaris	Pulses
BXGF00835	Green bean	Phaseolus vulgaris	Pulses
BXGF00838	Japanese pumpkin	Cucurbita maxima	Gourds
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF02362	Prunus serrulata var. spontanea	Prunus serrulata var. spontanea	Medicinal Plant
BXGF02367	Phonus arborescens	Phonus arborescens	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}