Structure Information
Structure

Compound Identification

SMILES

CC(C=C)(\C=C/C1=CC=C(O)C=C1)C1=CC=C(O)C=C1.CCC(C)C1NC(=O)CNC(=O)C2CC3=C(NC4=C3C=CC(O)=C4)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2

InChIKey

InChIKey=JUMBUHMBFFGCCA-TVIDHEMESA-N

Formula

C57H72N10O16S

Mass

1185.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Peptides - Cyclic peptides

Direct Parent

Amatoxins

Alternative Parents

Molecular Framework

Not available

Substituents

Amatoxin skeleton - Alpha-oligopeptide - Norlignan skeleton - Cinnamylphenol - Linear 1,3-diarylpropanoid - Alpha-amino acid or derivatives - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Primary carboxylic acid amide - Sulfoxide - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as amatoxins. These are cyclic peptides containing eight amino acid residues arranged in a macrobicyclic motif.

External Descriptors

Not available

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