Structure Information
Structure

Compound Identification

SMILES

COC1=C(N)C=C(NC2=C(C)C(=O)C3=C([C@H](COC(N)=O)C4(OC)[C@@H]5N[C@@H]5CN34)C2=O)C=C1

InChIKey

InChIKey=HTOIDRYSERIDIM-NVIZMAGOSA-N

Formula

C22H25N5O6

Mass

455.471

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Mitomycins, mitosane and mitosene derivatives

Direct Parent

Mitomycins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Mitomycin - Aminophenyl ether - Indole - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Pyrrolizine - Quinone - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrrolidine - Pyrroline - Tertiary amine - Ketone - Secondary amine - Aziridine - Secondary aliphatic amine - Enamine - Ether - Azacycle - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

External Descriptors

Not available

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