Compound Identification
SMILES
[H][C@]12CN3C4=C(C(=O)C(O)=C(C)C4=O)[C@]([H])(COC(O)=N)[C@@]3(O)[C@@]1([H])N2C
InChIKey
InChIKey=SSPKMGDJOCSPSC-YBQQBMQWSA-N
Formula
C15H17N3O6
Mass
335.316
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 Quinones Pyrrolizines N-methylpiperazines Vinylogous amides Vinylogous acids Pyrrolines Pyrrolidines Trialkylamines Alkanolamines Azacyclic compounds Aziridines Carboximidic acids and derivatives Enols Hydrocarbon derivatives Imines Organopnictogen compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Vinylogous amide - Vinylogous acid - Tertiary amine - Tertiary aliphatic amine - Ketone - Aziridine - Azacycle - Alkanolamine - Carboximidic acid derivative - Enol - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Imine - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - 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
CHEBI:85418 : hemiaminal - mitomycin