TCA

PHENYLETHYLENECARBOXYLIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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4 entries where TCA is found as a standalone ligand3 entries where TCA is covalently linked to polymer or other heterogen groups 1 entries where TCA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

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Chemical Component Summary
Name	PHENYLETHYLENECARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(E)-3-phenylprop-2-enoic acid
Formula	C₉ H₈ O₂
Molecular Weight	148.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)\C=C\c1ccccc1
SMILES	CACTVS	3.341	OC(=O)C=Cc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C=CC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)\C=C\c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)\C=C\C(=O)O
InChI	InChI	1.03	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey	InChI	1.03	WBYWAXJHAXSJNI-VOTSOKGWSA-N

Drug Info: DrugBank

DrugBank ID	DB18313
Name	Cinnamic acid
Groups	investigational
Synonyms	Trans-cinnamic acid (constituent of cinnamomum cassia bark) Cinnamic acid Cinnamic acid, trans- E-cinnamic acid Trans-cinnamic acid Cinnamic acidum 3-phenylacrylic acid Cinnamic acid, (e)- 3-phenylpropenoic acid 3-phenyl-2-propenoic acid 2-propenoic acid, 3-phenyl-, (2e)- Cinnamic acid (constituent of cinnamomum verum bark) 2-propenoic acid, 3-phenyl- 2-propenoic acid, 3-phenyl-, (e)-
Categories	Acids, Carbocyclic Anticoagulants Carbohydrates Cardiovascular Agents Fibrin Modulating Agents Fibrinolytic Agents Glycosaminoglycans Hematologic Agents Heparin (Low Molecular Weight) Heparin and similars Polysaccharides
CAS number	140-10-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hydroxycarboxylic acid receptor 2	MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALW...	unknown	agonist

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource Name	Reference
PubChem	444539
ChEMBL	CHEMBL27246
ChEBI	CHEBI:35697, CHEBI:27386
CCDC/CSD	CINMAC07, IPEVUV01, IPEVUV, MEZQIU, OPUSOI, WUZLEL, NUZSOS, PUCTEP, CINMAC06, IQILEB, WOCFAX, LUNMAI01, KUXTIH, CINMAC08, CINMAC10, CINMAC03, CINMAC11, LUNMAI, NUZTAF, SETSAN02, NEBXAV, DAYWAC, JECZAS, NABCEZ, DAYWAC01, SETSAN, YEPKAI, HOJLUO, EXEYIQ, AGIGEE, SETSAN03, CINMAC, ITOXUL, CITJUN, CINMAC04, SETSAN01, ACERIL, WOCHUT, OKEYIP, UZAKIS, FERLOH, NUZSOS01
COD	2104350, 4505188, 2107472, 2107473, 2019453, 2207660, 4500955, 4507465, 4500952, 4507466