Structure Information
Structure

Compound Identification

SMILES

CN1[C@@H]2CN3C4=C([C@H](COC(N)=O)[C@]3(O)[C@H]12)C(=O)C(NCC#C)=C(C)C4=O

InChIKey

InChIKey=QMMMRPZTYAHAHT-RLRFVNGWSA-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

Not available

Direct Parent

Mitomycins, mitosane and mitosene derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Mitosane core - Indole - Quinone - Pyrrolizine - N-alkylpiperazine - N-methylpiperazine - Alpha-branched alpha,beta-unsaturated-ketone - Piperazine - 1,4-diazinane - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Pyrroline - Pyrrolidine - Enone - Acryloyl-group - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - 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, 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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