Compound Identification
SMILES
CC1=CC(NC2=CC(C(=O)NC3(CCOCC3)C3=CC4=CC=CC=C4S3)=C(CCC(O)=O)C=C2)=CC(C)=C1
InChIKey
InChIKey=QEHIYTIHVDFHHC-UHFFFAOYSA-N
Formula
C31H32N2O4S
Mass
528.67
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
Aminobenzamides 1-benzothiophenes Benzamides m-Xylenes 2,3,5-trisubstituted thiophenes Aniline and substituted anilines Benzoyl derivatives Primary aromatic amines Oxanes Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Dialkyl ethers Carboxylic acids Oxacyclic compounds Secondary amines Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - 1-benzothiophene - Benzoic acid or derivatives - Benzothiophene - M-xylene - Xylene - Benzoyl - 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Monocyclic benzene moiety - Oxane - Primary aromatic amine - Benzenoid - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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