Compound Identification
SMILES
CCCNC1=C(C)C(=O)C2=C([C@@H](COC(N)=O)[C@]3(O)[C@H]4[C@@H](CN23)N4C)C1=O
InChIKey
InChIKey=SIVUFRNHYBLDBI-XRFFALKRSA-N
Formula
C18H24N4O5
Mass
376.413
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- 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
Not available
Direct Parent
Mitomycins, mitosane and mitosene derivatives
Alternative Parents
Indoles Pyrrolizines Quinones N-methylpiperazines Pyrrolines Pyrrolidines Vinylogous amides Carbamate esters Trialkylamines Alkanolamines Enamines Dialkylamines Aziridines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ketone - Secondary amine - Alkanolamine - Aziridine - Secondary aliphatic amine - Azacycle - Enamine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen 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