HCI

HYDROCINNAMIC ACID

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

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16 entries where HCI is found as a standalone ligand1 entries where HCI is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

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Chemical Component Summary
Name	HYDROCINNAMIC ACID
Synonyms	3PP; 3-PHENYLPROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	3-phenylpropanoic acid
Formula	C₉ H₁₀ O₂
Molecular Weight	150.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCc1ccccc1
SMILES	CACTVS	3.370	OC(=O)CCc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CCC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey	InChI	1.03	XMIIGOLPHOKFCH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02024
Name	3-phenylpropionic acid
Groups	experimental
Synonyms	Phenylpropanoate 3PP 3-phenyl-propionic acid 3-phenylpropionic acid Hydrocinnamic acid 3-Phenylpropionsäure beta-Phenylpropionic acid 3-phenylpropanoic acid
Categories	Acids, Carbocyclic
CAS number	501-52-0

Drug Targets

Name	Target Sequence	Pharmacological Action
Aspartate aminotransferase	MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...	unknown
Aromatic-amino-acid aminotransferase	MLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...	unknown
Aminotransferase	MRLHPRTEAAKESIFPRMSGLAQRLGAVNLGQGFPSNPPPPFLLEAVRRA...	unknown

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