Compound Identification
SMILES
COC12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(N2CC2C#N)=C(C)C1=O
InChIKey
InChIKey=VUQIHZKGZZSFDF-YUVLYEEJSA-N
Formula
C18H19N5O5
Mass
385.38
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 Pyrrolines Pyrrolidines N-vinylaziridines Carbamate esters Trialkylamines Alpha-aminonitriles Azacyclic compounds Dialkylamines Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Vinylaziridine - N-vinylaziridine - Tertiary amine - Tertiary aliphatic amine - Ketone - Alpha-aminonitrile - Azacycle - Secondary aliphatic amine - Aziridine - Secondary amine - Enamine - Carbonitrile - Nitrile - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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