Compound Identification
SMILES
COC1=NC(OC(C(O)=O)C(CCCC2=CC=CC=C2)(OC)C2=CC=CC=C2)=NC(C)=C1
InChIKey
InChIKey=QSNKQHXTPVICBY-UHFFFAOYSA-N
Formula
C25H28N2O5
Mass
436.508
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
Benzylethers Medium-chain fatty acids Alkyl aryl ethers Amino fatty acids Heterocyclic fatty acids Pyrimidines and pyrimidine derivatives Monosaccharides Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzylether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Monosaccharide - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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