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

2D diagram of TCA

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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	Cinnamic acid, (e)- 3-phenylacrylic acid 2-propenoic acid, 3-phenyl-, (e)- Cinnamic acid Trans-cinnamic acid (constituent of cinnamomum cassia bark) Trans-cinnamic acid E-cinnamic acid 3-phenyl-2-propenoic acid Cinnamic acid, trans- 2-propenoic acid, 3-phenyl- 3-phenylpropenoic acid 2-propenoic acid, 3-phenyl-, (2e)- Cinnamic acid (constituent of cinnamomum verum bark) Cinnamic acidum
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

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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.