Compound Identification
SMILES
CO[C@]12[C@@H]3[C@H](CN1C1=C([C@H]2COC(N)=O)C(=O)C(OCCO)=C([13CH3])C1=O)N3C(C)=O
InChIKey
InChIKey=KUFMMSJSUUGOSJ-LYTAFHCRSA-N
Formula
C19H23N3O8
Mass
422.398
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 Piperazines Vinylogous amides Pyrrolines Pyrrolidines Acetamides Vinylogous esters Carbamate esters Tertiary carboxylic acid amides Aziridines Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Carbamic acid ester - Vinylogous amide - Vinylogous ester - Acetamide - Ketone - Carboxamide group - Azacycle - Aziridine - Carboxylic acid derivative - Alcohol - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - 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