Compound Identification
SMILES
NC(CCCN=C(N)N)C(O)=O.CCCO[C@@H](CC1=CC=C(OCCN2CCOC3=CC=CC=C23)C=C1)C(O)=O
InChIKey
InChIKey=LOIOOQMJYNEEIK-BOXHHOBZSA-N
Formula
C28H41N5O7
Mass
559.664
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
Alpha amino acids Benzomorpholines Benzoxazines Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Fatty acids and conjugates Guanidines Amino acids Dialkyl ethers Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Benzomorpholine - Benzoxazine - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Oxazinane - Fatty acid - Benzenoid - Guanidine - Amino acid or derivatives - Amino acid - Tertiary amine - Ether - Organic 1,3-dipolar compound - Organoheterocyclic compound - Dialkyl ether - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Carboximidamide - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic 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