acompound

Showing entry for Abscisic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021870
Compound Name	Abscisic Acid
Structure
Formula	C15H20O4
InchiKey	JLIDBLDQVAYHNE-LXGGSRJLSA-N
SMILES	OC(=O)/C=C(\C=C\C1(O)C(=CC(=O)CC1(C)C)C)/C
Inchi	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
IUPAC	(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Molecular Weight	264.14
Pubchem Id	5375199
Chembl Id	CHEMBL379808

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

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	70	%
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	31	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	37578	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	39810	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-10	%
Q9FH76	BXGT020374	Abscisic acid 8'-hydroxylase 3	reviewed	-	CYP707A3	Activity	'='	22	%
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	631	nM
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	74978	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-4	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	92	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00149	Peach	Prunus persica	Fruits
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF05277	Prunus davidiana	Prunus davidiana	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	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}