HY1

PHENYLACETALDEHYDE

Created:	1999-08-26
Last modified:	2024-09-27

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12 entries where HY1 is found as a standalone ligand2 entries where HY1 is covalently linked to polymer or other heterogen groups 3 entries where HY1 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

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Chemical Component Summary
Name	PHENYLACETALDEHYDE
Systematic Name (OpenEye OEToolkits)	2-phenylethanal
Formula	C₈ H₈ O
Molecular Weight	120.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCc1ccccc1
SMILES	CACTVS	3.341	O=CCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC=O
Canonical SMILES	CACTVS	3.341	O=CCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC=O
InChI	InChI	1.03	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey	InChI	1.03	DTUQWGWMVIHBKE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02178
Name	Phenylacetaldehyde
Groups	experimental
Synonyms	Phenylacetaldehyde
Categories	Aldehydes Oils, Volatile
CAS number	122-78-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Primary amine oxidase	MGSPSLYSARKTTLALAVALSFAWQAPVFAHGGEAHMVPMDKTLKEFGAD...	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