acompound

Showing entry for Isoferulic acid

General Compound Information
BXGC Id	BXGC0001983
Compound Name	Isoferulic acid
Structure
Formula	C10H10O4
InchiKey	QURCVMIEKCOAJU-HWKANZROSA-N
SMILES	COC1=C(O)C=C(\C=C\C(O)=O)C=C1
Inchi	InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
IUPAC	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Molecular Weight	194.18
Pubchem Id	736186
Chembl Id	CHEMBL233295

Targets of Information Source

DrugBank

DB07109

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
Q55813	BXGT015071	O-methyltransferase	unreviewed	-	slr0095	experimental	-

PDB

4FE

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
Q55813	BXGT015071	O-methyltransferase	unreviewed	slr0095	-	-	-	-	-

Binding DB

50241245

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	BXGT013265	Hyaluronidase-1	reviewed	Enzyme	HYAL1	-	>2000000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	115200	-	-

CHEMBL

CHEMBL233295

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
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	3981	nM
Q12794	BXGT013265	Hyaluronidase-1	reviewed	Enzyme	HYAL1	IC50	'>'	2000000	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	75	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	7	%
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	25918	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	55	%
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	115200	nM

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
BXGF00085	Soy bean	Glycine max	Soy
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00585	Vinegar		Baking goods
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02444	Valeriana officinalis	Valeriana officinalis	Medicinal Plant
BXGF02946	Artemisia anomala	Artemisia anomala	Medicinal Plant
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03749	Marrubium cylleneum	Marrubium cylleneum	Others
BXGF03908	Hedysarum multijugum maxim	Hedysarum multijugum maxim	Others
BXGF04106	Salvia przewalskii	Salvia przewalskii	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04477	Artemisia vestita	Artemisia vestita	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF04951	Cimicifuga dahurica	Cimicifuga dahurica	Medicinal Plant
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05669	Marrubium velutinum	Marrubium velutinum	Medicinal Plant
BXGF06295	Catalpa ovata	Catalpa ovata	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}