Structure Information
Structure

Compound Identification

SMILES

COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(OCCCN2CCN(C)CC2)=C(C)C1=O

InChIKey

InChIKey=KSAGHIDIGCJAAO-UHFFFAOYSA-N

Formula

C23H33N5O6

Mass

475.546

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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 - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous ester - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Aziridine - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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