Structure Information
Structure

Compound Identification

SMILES

CCO[C@@H](CC1=CC=C(OCC2=C(C)C=C(S2)C2=CC=C(C=C2)C2=CC(COC)=NO2)C=C1)C(O)=O

InChIKey

InChIKey=MECJFXBATDEIFB-VWLOTQADSA-N

Formula

C28H29NO6S

Mass

507.6

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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

Previous Back Next