acompound

Showing entry for p-Hydroxyphenethyl trans-ferulate

General Compound Information
BXGC Id	BXGC0004907
Compound Name	p-Hydroxyphenethyl trans-ferulate
Structure
Formula	C18H18O5
InchiKey	JMSFLLZUCIXALN-WEVVVXLNSA-N
SMILES	COC1=C(O)C=CC(\C=C\C(=O)OCCC2=CC=C(O)C=C2)=C1
Inchi	InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
IUPAC	2-(4-hydroxyphenyl)ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	314.33
Pubchem Id	637308
Chembl Id	CHEMBL481245

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

50259746

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	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	-	>5.0e+4	-	-
reviewed	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	-	47600	-	-
reviewed	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed		CA5B	670	-	-	-
reviewed	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	770	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	620	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	810	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	8470	-	-	-
reviewed	BXGT020260	Carbonic anhydrase 13	reviewed		Ca13	930	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	720	-	-	-
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	44000	-	-	-
reviewed	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed		CA5A	810	-	-	-
reviewed	BXGT006794	Hepatocyte growth factor receptor	reviewed	Kinase	MET	-	12900	-	-

CHEMBL

CHEMBL481245

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
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	620	nM
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	IC50	'='	47600	nM
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	Inhibition	'='	71	%
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'='	770	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	8470	nM
P08581	BXGT006794	Hepatocyte growth factor receptor	reviewed	Kinase	MET	IC50	'='	12900	nM
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Ki	'='	670	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	810	nM
Q9D6N1	BXGT020260	Carbonic anhydrase 13	reviewed	-	Ca13	Ki	'='	930	nM
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	720	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	50000	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Ki	'='	810	nM
P07451	BXGT006627	Carbonic anhydrase 3	reviewed	-	CA3	Ki	'>'	50000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'>'	50000	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	44000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00075	Black crowberry	Empetrum nigrum	Fruits
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00168	Winter savory	Satureja montana	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00868	Clusia torresii	Clusia torresii	Others
BXGF00917	Rauvolfia tetraphylla	Rauvolfia tetraphylla	Medicinal Plant
BXGF01036	Sargentodoxa cuneata	Sargentodoxa cuneata	Medicinal Plant
BXGF01037	Ferula assa-foetida	Ferula assa-foetida	Medicinal Plant
BXGF01094	Asplenium nidus	Asplenium nidus	Human Edible Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01758	Cirsium helenioides	Cirsium helenioides	Others
BXGF01880	Stevia salicifolia	Stevia salicifolia	Others
BXGF01904	Orthosiphon aristatus	Orthosiphon aristatus	Medicinal Plant
BXGF01924	Handroanthus guayacan	Handroanthus guayacan	Others
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02215	Pteris altissima	Pteris altissima	Others
BXGF02228	Pterocaulon rugosum	Pterocaulon rugosum	Others
BXGF02249	Ulmus laciniata	Ulmus laciniata	Medicinal Plant
BXGF02508	Millettia ichthyochtona	Millettia ichthyochtona	Others
BXGF02820	Ceratozamia kuesteriana	Ceratozamia kuesteriana	Others
BXGF02889	Salvia prionitis	Salvia prionitis	Medicinal Plant
BXGF02977	Jateorhiza palmata	Jateorhiza palmata	Medicinal Plant
BXGF03016	Ephedra lomatolepis	Ephedra lomatolepis	Others
BXGF03172	Picradeniopsis oppositifolia	Picradeniopsis oppositifolia	Others
BXGF03252	Tetraria capillaris	Tetraria capillaris	Others
BXGF03292	Maytenus guianensis	Maytenus guianensis	Others
BXGF03314	Saussurea triangulata	Saussurea triangulata	Others
BXGF03324	Phleum africanum	Phleum africanum	Others
BXGF03338	Lindera umbellata	Lindera umbellata	Medicinal Plant
BXGF03347	Stephania succifera	Stephania succifera	Medicinal Plant
BXGF03375	Clausena indica	Clausena indica	Human Edible Plant
BXGF03390	Gentiana olivieri	Gentiana olivieri	Medicinal Plant
BXGF03403	Vernonia serratuloides	Vernonia serratuloides	Others
BXGF03458	Ardisia macrocarpa	Ardisia macrocarpa	Human Edible Plant
BXGF03470	Chlorophytum malayense	Chlorophytum malayense	Medicinal Plant
BXGF03482	Gnetum cleistostachyum	Gnetum cleistostachyum	Others
BXGF03529	Pinus thunbergii	Pinus thunbergii	Medicinal Plant
BXGF03543	Teucrium alyssifolium	Teucrium alyssifolium	Others
BXGF03559	Orthosiphon stamineus	Orthosiphon stamineus	Medicinal Plant
BXGF03568	Senecio grandiflorus	Senecio grandiflorus	Others
BXGF03577	Zephyranthes carinata	Zephyranthes carinata	Medicinal Plant
BXGF03597	Angelica ursina	Angelica ursina	Medicinal Plant
BXGF03606	Pinus halepensis	Pinus halepensis	Medicinal Plant
BXGF03928	Celmisia petriei	Celmisia petriei	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04844	Primula veris	Primula veris	Medicinal Plant
BXGF05110	Euonymus maackii	Euonymus maackii	Others
BXGF05481	Populus tremula	Populus tremula	Medicinal Plant
BXGF05550	Morus yunnanensis	Morus yunnanensis	Others
BXGF05553	Astragalus inopinatus	Astragalus inopinatus	Others
BXGF05821	Nicotiana gossei	Nicotiana gossei	Medicinal Plant
BXGF06125	Senecio integerrimus	Senecio integerrimus	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}