Structure Information
Structure

Compound Identification

SMILES

COC12C3NC3CN1C1=C(C2COC(=O)NC2=CC=CC=C2)C(=O)C(N)=C(C)C1=O

InChIKey

InChIKey=ZQGIHSUWODZZJM-UHFFFAOYSA-N

Formula

C21H22N4O5

Mass

410.43

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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 - Phenylcarbamic acid ester - Indole - Quinone - Pyrrolizine - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Carbonic acid derivative - Ketone - Azacycle - Secondary amine - Enamine - Secondary aliphatic amine - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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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