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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
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Level 6
Cyclic peptides
- Level 7 Amatoxins
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Level 6
Cyclic peptides
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Level 5
Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Oligopeptides Lignans, neolignans and related compounds Cinnamylphenols 3-alkylindoles Alpha amino acids and derivatives Hydroxyindoles Styrenes 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Pyrrolidines Pyrroles Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Lactams Azacyclic compounds Sulfinyl compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organonitrogen compounds Organic oxides
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