Compound Identification
SMILES
COC1=C(C)C(=O)C2=C(C(COC(N)=O)=C3C(CCN23)OC(N)=O)C1=O
InChIKey
InChIKey=BPQXSMWEVBFHQX-UHFFFAOYSA-N
Formula
C16H17N3O7
Mass
363.326
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
Pyrrolizines Aryl ketones Substituted pyrroles Vinylogous esters Vinylogous amides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitosene core - Pyrrolizine - Aryl ketone - Substituted pyrrole - Pyrrole - Carbamic acid ester - Vinylogous amide - Vinylogous ester - Heteroaromatic compound - Ketone - Carbonic acid derivative - Azacycle - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic 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