Structure Information
Structure

Compound Identification

SMILES

CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCC#C)=C(C)C1=O

InChIKey

InChIKey=VWTQUILISBTGND-XIVHWCCNSA-N

Formula

C18H20N4O5

Mass

372.381

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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

Aliphatic heteropolycyclic compounds

Substituents

Mitomycin - Indole - Quinone - Pyrrolizine - Alpha-branched alpha,beta-unsaturated-ketone - Piperazine - 1,4-diazinane - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Pyrroline - Pyrrolidine - Enone - Acryloyl-group - Carbonic acid derivative - Ketone - Haloacetylene or derivatives - Acetylide - Azacycle - Secondary amine - Secondary aliphatic amine - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic 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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