Compound Identification
SMILES
CC1CN(C=C)C(C)CN1C=C.CC(C)(C)c1cc(CCC(O)=O)cc(c1O)C(C)(C)C.CC(C)(C)c1cc(CCC(O)=O)cc(c1O)C(C)(C)C
InChIKey
InChIKey=DETKSBJUOAXTMF-UHFFFAOYSA-N
Formula
C44H70N2O6
Mass
723.052
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylpropanes Phenols Piperazines Trialkylamines Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Phenylpropane - Phenol - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Allylamine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available