Structure Information
Structure

Compound Identification

SMILES

COC12[C@H]3[C@@H](CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCCSSCCNC2=C(C)C(=O)C4=C(C(COC(N)=O)[C@]5(OC)C6[C@@H](CN45)N6C)C2=O)=C(C)C1=O)N3C

InChIKey

InChIKey=NEFFDOXZSVFLIN-IBDQBHNWSA-N

Formula

C36H46N8O10S2

Mass

814.93

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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 - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Tertiary amine - Dialkyldisulfide - Tertiary aliphatic amine - Ketone - Organic disulfide - Secondary amine - Azacycle - Sulfenyl compound - Aziridine - Secondary aliphatic amine - Enamine - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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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