You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C2CC(C)OC(=O)C2=C1O

InChIKey

InChIKey=IHPSAIGCKPYNDR-WVQRXBFSSA-N

Formula

C21H20ClNO6

Mass

417.84

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Ochratoxins and related substances

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Ochratoxins and related substances

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ochratoxin-skeleton - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Isochromane - Salicylic acid or derivatives - 2-benzopyran - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzopyran - 4-halophenol - Fatty acid ester - Phenol - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Vinylogous acid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ochratoxins and related substances. These are a group of chemically related metabolites containing a 3,4-dihydro-3-methylisocoumarin moiety linked through a carboxyl group to L-beta-phenylalanine by a secondary amine bond.

External Descriptors

Not available

Previous Back Next