Structure Information
Structure

Compound Identification

SMILES

CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCC2CCCO2)=C(C)C1=O

InChIKey

InChIKey=IBHSJZCRJYNJFO-AWWGVZNMSA-N

Formula

C20H26N4O6

Mass

418.45

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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 - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Oxolane - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Ketone - Aziridine - Dialkyl ether - Secondary amine - Azacycle - Oxacycle - Secondary aliphatic amine - Enamine - Ether - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - 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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