Compound Identification
SMILES
COC12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCCSSCCNC2=C(C)C(=O)C3=C(C(COC(N)=O)[C@]4(OC)C5N[C@@H]5CN34)C2=O)=C(C)C1=O
InChIKey
InChIKey=NYSVZLHPZIUDAC-WVJVOSRQSA-N
Formula
C34H42N8O10S2
Mass
786.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
-
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
-
Subclass
Indolequinones
-
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 Quinones Pyrrolizines Piperazines Vinylogous amides Carbamate esters Pyrrolines Pyrrolidines Dialkyldisulfides Enamines Azacyclic compounds Dialkylamines Sulfenyl compounds Aziridines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Dialkyldisulfide - Ketone - Organic disulfide - Sulfenyl compound - Secondary amine - Azacycle - Aziridine - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxide - 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