acompound

Showing entry for Methylcaffeate

General Compound Information
BXGC Id	BXGC0030026
Compound Name	Methylcaffeate
Structure
Formula	C10H10O4
InchiKey	OCNYGKNIVPVPPX-HWKANZROSA-N
SMILES	COC(=O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
IUPAC	methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	194.06
Pubchem Id	689075
Chembl Id	CHEMBL17001

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

50029209

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	BXGT005953	Transthyretin	reviewed	Transporter	TTR	-	-	-	67000

CHEMBL

CHEMBL17001

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	100000	nM
A0A0C7ACN7	BXGT000141	3-oxoacyl-ACP synthase	unreviewed	-	pqsD	Activity	-	-	-
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'>'	100000	nM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	22	uM
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'>'	100000	nM
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	EC50	'='	67000	nM
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Activity	-	-	-
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	EC50	'='	67700	nM
A0A0C7ACN7	BXGT000141	3-oxoacyl-ACP synthase	unreviewed	-	pqsD	IC50	'='	51000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00870	Othonna sedifolia	Othonna sedifolia	Others
BXGF00945	Chrysanthemum sinense	Chrysanthemum sinense	Others
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF00959	Artemisia hanseniana	Artemisia hanseniana	Others
BXGF01145	Pterocarpus officinalis	Pterocarpus officinalis	Medicinal Plant
BXGF01159	Kopsia grandifolia	Kopsia grandifolia	Others
BXGF01177	Vernonia lanuginosa	Vernonia lanuginosa	Others
BXGF01188	Calycanthus floridus	Calycanthus floridus	Medicinal Plant
BXGF01228	Ageratina adenophora	Ageratina adenophora	Medicinal Plant
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01281	Ledebouria socialis	Ledebouria socialis	Others
BXGF01319	Adenia globosa	Adenia globosa	Others
BXGF01359	Daphne feddei	Daphne feddei	Others
BXGF01361	Lycopus europaeus	Lycopus europaeus	Medicinal Plant
BXGF01400	Dipterocarpus dyeri	Dipterocarpus dyeri	Others
BXGF01403	Aglaia grandis	Aglaia grandis	Medicinal Plant
BXGF01433	Catunaregam tomentosa	Catunaregam tomentosa	Human Edible Plant
BXGF01461	Liriodendron tulipifera	Liriodendron tulipifera	Medicinal Plant
BXGF01518	Ipomoea cairica	Ipomoea cairica	Medicinal Plant
BXGF01699	Ceanothus velutinus	Ceanothus velutinus	Medicinal Plant
BXGF01732	Garcinia scortechinii	Garcinia scortechinii	Others
BXGF01756	Apollonias barbujana	Apollonias barbujana	Others
BXGF01781	Chlorophytum borivilianum	Chlorophytum borivilianum	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02215	Pteris altissima	Pteris altissima	Others
BXGF02316	Isodon lophanthoides	Isodon lophanthoides	Medicinal Plant
BXGF02508	Millettia ichthyochtona	Millettia ichthyochtona	Others
BXGF02596	Fragaria vesca	Fragaria vesca	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02820	Ceratozamia kuesteriana	Ceratozamia kuesteriana	Others
BXGF03090	Lasianthus fordii	Lasianthus fordii	Others
BXGF03318	Capsicum tetragonum	Capsicum tetragonum	Others
BXGF03660	Microcos paniculata	Microcos paniculata	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03934	Lycoris traubii	Lycoris traubii	Others
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04300	Tetrapanax papyrifer	Tetrapanax papyrifer	Medicinal Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04350	Lygodium flexuosum	Lygodium flexuosum	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04709	Strychnos staudtii	Strychnos staudtii	Others
BXGF04727	Dictyoloma incanescens	Dictyoloma incanescens	Others
BXGF04738	Saccharum spontaneum	Saccharum spontaneum	Medicinal Plant
BXGF04746	Crotalaria anagyroides	Crotalaria anagyroides	Medicinal Plant
BXGF04778	Dasymaschalon sootepense	Dasymaschalon sootepense	Others
BXGF04782	Croton poilanei	Croton poilanei	Others
BXGF04794	Tsuga mertensiana	Tsuga mertensiana	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04834	Guatteria melosma	Guatteria melosma	Others
BXGF04860	Securinega melanthesoides	Securinega melanthesoides	Others
BXGF04865	Euonymus sachalinensis	Euonymus sachalinensis	Medicinal Plant
BXGF04870	Felicia erigeroides	Felicia erigeroides	Others
BXGF04879	Lupinus paniculatus	Lupinus paniculatus	Others
BXGF04886	Boehmeria nivea	Boehmeria nivea	Medicinal Plant
BXGF05096	Aconitum leucostomum	Aconitum leucostomum	Medicinal Plant
BXGF05200	Aquilegia ecalcarata	Aquilegia ecalcarata	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05316	Persea mexicana	Persea mexicana	Others
BXGF05399	Zanthoxylum myriacanthum	Zanthoxylum myriacanthum	Medicinal Plant
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF05456	Anaphalis araneosa	Anaphalis araneosa	Others
BXGF05492	Bhesa nitidissima	Bhesa nitidissima	Others
BXGF05525	Phellodendron japonicum	Phellodendron japonicum	Medicinal Plant
BXGF05554	Hibiscus taiwanensis	Hibiscus taiwanensis	Medicinal Plant
BXGF05724	Rothmannia wittii	Rothmannia wittii	Medicinal Plant
BXGF05767	Gardenia tubifera	Gardenia tubifera	Medicinal Plant
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF05845	Panax innovans	Panax innovans	Others
BXGF05846	Ranzania japonica	Ranzania japonica	Others
BXGF05904	Impatiens edgeworthii	Impatiens edgeworthii	Others
BXGF05940	Artemisia kurramensis	Artemisia kurramensis	Others
BXGF05956	Blumea mollis	Blumea mollis	Medicinal Plant
BXGF05965	Episcia cupreata	Episcia cupreata	Others
BXGF06054	Angelica japonica	Angelica japonica	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06186	Jasonia candicans	Jasonia candicans	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}