Structure Information
Structure

Compound Identification

SMILES

CCCNC1=C(C)C(=O)C2=C([C@@H](COC(N)=O)[C@]3(O)[C@H]4[C@@H](CN23)N4C)C1=O

InChIKey

InChIKey=SIVUFRNHYBLDBI-XRFFALKRSA-N

Formula

C18H24N4O5

Mass

376.413

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Not available

Direct Parent

Mitomycins, mitosane and mitosene derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Mitosane core - Indole - Pyrrolizine - Quinone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ketone - Secondary amine - Alkanolamine - Aziridine - Secondary aliphatic amine - Azacycle - Enamine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins, mitosane and mitosene derivatives. These are a group of pyrroloindolediones, which carry a methyl group at the 6-position of their quinone moiety. The mitosane (containing an aziridine) and mitosene server as backbone for mitomycins and their derivatives.

External Descriptors

Not available

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