acompound

Showing entry for Benzyl Ferulate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038724
Compound Name	Benzyl Ferulate
Structure
Formula	C17H16O4
InchiKey	DZAPHTCUSDTZAT-CSKARUKUSA-N
SMILES	COc1cc(/C=C/C(=O)OCc2ccccc2)ccc1O
Inchi	InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
IUPAC	benzyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	284.1
Pubchem Id	7766335
Chembl Id	CHEMBL457076

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

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	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	420	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	630	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	1030	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	8890	-	-	-
reviewed	BXGT020260	Carbonic anhydrase 13	reviewed		Ca13	940	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	780	-	-	-
reviewed	BXGT006627	Carbonic anhydrase 3	reviewed		CA3	>50000	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>50000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	>50000	-	-	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	39500	-	-	-
reviewed	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed		CA5A	880	-	-	-
reviewed	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed		CA5B	660	-	-	-

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
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'>'	50000	nM
P07451	BXGT006627	Carbonic anhydrase 3	reviewed	-	CA3	Ki	'>'	50000	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Ki	'='	880	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	1030	nM
Q9D6N1	BXGT020260	Carbonic anhydrase 13	reviewed	-	Ca13	Ki	'='	940	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	630	nM
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Ki	'='	660	nM
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	780	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	50000	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	39500	nM
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'='	420	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	8890	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
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
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
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}