Compound Identification
SMILES
NC(O)=O.COC12C3NC3CN1C1=C(C2CO)C(=O)C(OCC2CCC2)=C(C)C1=O
InChIKey
InChIKey=NPMCKXSLEHWPFD-UHFFFAOYSA-N
Formula
C20H27N3O7
Mass
421.45
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 Piperazines Vinylogous esters Vinylogous amides Pyrrolines Pyrrolidines Carbamic acids Dialkylamines Aziridines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Mitosane core - Indole - Quinone - Pyrrolizine - 1,4-diazinane - Piperazine - Vinylogous ester - Vinylogous amide - Pyrroline - Pyrrolidine - Carbamic acid - Carbamic acid derivative - Ketone - Aziridine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - 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