Compound Identification
SMILES
CCCCCNC(=O)C1=COC(=N1)[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CC1=CC=CC=C1CCC(O)=O
InChIKey
InChIKey=BBPRUNPUJIUXSE-LCKKVJLRSA-N
Formula
C25H32N2O5
Mass
440.54
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
2-heteroaryl carboxamides 2,4-disubstituted oxazoles Benzene and substituted derivatives Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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