Compound Identification
SMILES
OC(=O)C(O)=O.O[C@@H](CNCCCCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=LGNBHTFGSWCXSV-UQIIZPHYSA-N
Formula
C27H31NO8
Mass
497.544
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Catechols Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Carboxylic acids Dialkylamines Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Phenylbutylamine - Phenoxy compound - Catechol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available