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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolequinones
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Level 5
Mitomycins, mitosane and mitosene derivatives
- Level 6 Mitomycins
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Level 5
Mitomycins, mitosane and mitosene derivatives
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Subclass
Indolequinones
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
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
Indoles Pyrrolizines Quinones N-methylpiperazines Pyrrolines Pyrrolidines Vinylogous amides Carbamate esters Trialkylamines Dialkyldisulfides Azacyclic compounds Enamines Dialkylamines Aziridines Sulfenyl compounds Organic oxides Hydrocarbon derivatives
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