acompound

Showing entry for trans-o-Coumaric acid

General Compound Information
BXGC Id	BXGC0001886
Compound Name	trans-o-Coumaric acid
Structure
Formula	C9H8O3
InchiKey	PMOWTIHVNWZYFI-AATRIKPKSA-N
SMILES	OC(=O)\C=C\C1=CC=CC=C1O
Inchi	InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
IUPAC	(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
Molecular Weight	164.16
Pubchem Id	637540
Chembl Id	CHEMBL52564

Targets of Information Source

DrugBank

DB01650

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
P46072	BXGT010503	Major NAD(P)H-flavin oxidoreductase	reviewed	-	-	experimental	-

PDB

2HC

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
P46072	BXGT010503	Major NAD(P)H-flavin oxidoreductase	reviewed		-	-	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	CA2	-	-	-	-	-

Binding DB

50146462

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	BXGT012457	Beta-carbonic anhydrase 1	reviewed		mtcA1	2250	-	-	-
reviewed	BXGT012458	Carbonic anhydrase 2	reviewed		mtcA2	4170	-	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	670000	-	-
reviewed	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	-	50000	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	3100	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	9200	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	>1000000	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	>1000000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	3400	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	9300	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	>100000	-	-	-
reviewed	BXGT006627	Carbonic anhydrase 3	reviewed		CA3	>1000000	-	-	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	62300	-	-	-
reviewed	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed		CA5A	>1000000	-	-	-
reviewed	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed		CA5B	578000	-	-	-
reviewed	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	>1000000	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	>1000000	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	>1000000	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	>1000000	-	-	-
reviewed	BXGT019994	Carbonic anhydrase 15	reviewed		Ca15	>1000000	-	-	-

CHEMBL

CHEMBL52564

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
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'>'	1000000	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	9300	nM
P24385	BXGT008965	G1/S-specific cyclin-D1	reviewed	Enzyme modulator	CCND1	Inhibition	'<'	10	%
P11802	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	Inhibition	'<'	10	%
P07451	BXGT006627	Carbonic anhydrase 3	reviewed	-	CA3	Ki	'>'	1000000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	3100	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'>'	1000000	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	32	ug.mL-1
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	Inhibition	'='	73	%
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC50	'='	50000	nM
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'>'	1000000	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	9200	nM
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Ki	'='	578000	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'>'	1000000	nM
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'>'	1000000	nM
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'>'	1000000	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Ki	'>'	1000000	nM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	19	uM
Q99N23	BXGT019994	Carbonic anhydrase 15	reviewed	-	Ca15	Ki	'>'	1000000	nM
Q9R1U7	BXGT021423	Solute carrier family 22 member 8	reviewed	-	Slc22a8	Activity	'='	39	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	670000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	3400	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'>'	100000	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	62300	nM
Q8TDS4	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed	-	HCAR2	Activity	'='	4	%
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	806300	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	794328	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00016	Peanut	Arachis hypogaea	Nuts
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00105	Apple	Malus pumila	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00120	Evening primrose	Oenothera biennis	Herbs and Spices
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00124	Common oregano	Origanum vulgare	Herbs and Spices
BXGF00135	Date	Phoenix dactylifera	Fruits
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00145	Sweet cherry	Prunus avium	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00228	Hard wheat	Triticum durum	Cereals and cereal products
BXGF00248	Beer		Beverages
BXGF00570	Grape wine		Beverages
BXGF00824	Green vegetables		Vegetables
BXGF00935	Periploca calophylla	Periploca calophylla	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01772	Corydalis ochotensis	Corydalis ochotensis	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02051	Senna sophera	Senna sophera	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02277	Iberis amara	Iberis amara	Medicinal Plant
BXGF02327	Sophora tometosa	Sophora tometosa	Others
BXGF02378	Aster oharai	Aster oharai	Others
BXGF02428	Prumnopitys ferruginoides	Prumnopitys ferruginoides	Others
BXGF02520	Heliotropium amplexicaule	Heliotropium amplexicaule	Medicinal Plant
BXGF02946	Artemisia anomala	Artemisia anomala	Medicinal Plant
BXGF02962	Melilotus officinalis	Melilotus officinalis	Medicinal Plant
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03225	Lysimachia clethroides	Lysimachia clethroides	Medicinal Plant
BXGF03238	Eupatorium fortunei	Eupatorium fortunei	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05005	Cinnamomum cassia	Cinnamomum cassia	Medicinal Plant
BXGF05753	Citrus limonia	Citrus limonia	Medicinal Plant
BXGF06043	Holboellia fargesi	Holboellia fargesi	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}