Pathogen Host Interaction Phenotype Ontology

Last uploaded: April 4, 2024
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Preferred Name

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
Synonyms

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
Definitions

A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
ID

http://purl.obolibrary.org/obo/CHEBI_77733
charge

0
database_cross_reference

CAS:52-53-9

KEGG:C07188

LINCS:LSM-1298

KEGG:D02356
formula

C27H38N2O4
has_exact_synonym

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
has_obo_namespace

chebi_ontology
id

CHEBI:77733
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
inchikey

SGTNSNPWRIOYBX-UHFFFAOYSA-N
label

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
mass

454.60160
monoisotopicmass

454.28316
notation

CHEBI:77733
prefLabel

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
smiles

COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
textual definition

A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_46774

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_50996
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