Compound Identification
SMILES
COC12C3NC3CN1C1=C(C2CO)C(=O)C(OC(N)=O)=C(C)C1=O
InChIKey
InChIKey=YUABPONRPCLYQN-UHFFFAOYSA-N
Formula
C15H17N3O6
Mass
335.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and 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
Not available
Direct Parent
Mitomycins, mitosane and mitosene derivatives
Alternative Parents
Indoles Quinones Pyrrolizines Piperazines Carbamate esters Enol esters Vinylogous amides Pyrrolines Pyrrolidines Azacyclic compounds Dialkylamines Aziridines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Enol ester - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Ketone - Azacycle - Aziridine - Secondary amine - Secondary aliphatic amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Amine - Carbonyl group - 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