LEG

1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE

Created:	2007-05-29
Last modified:	2011-06-04

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1 entries where LEG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

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Chemical Component Summary
Name	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
Systematic Name (OpenEye OEToolkits)	1-(4-hexylphenyl)prop-2-en-1-one
Formula	C₁₅ H₂₀ O
Molecular Weight	216.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc(cc1)CCCCCC)\C=C
SMILES	CACTVS	3.341	CCCCCCc1ccc(cc1)C(=O)C=C
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCc1ccc(cc1)C(=O)C=C
Canonical SMILES	CACTVS	3.341	CCCCCCc1ccc(cc1)C(=O)C=C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCc1ccc(cc1)C(=O)C=C
InChI	InChI	1.03	InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
InChIKey	InChI	1.03	IINHTEWASPUCMH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08085
Name	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
Groups	experimental
Synonyms	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thyroid hormone receptor beta	MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLK...	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