Compound Identification
SMILES
CCC1=C(C=C2C(=O)C3=C(C(O)=CC4=CC(C)=C(Cl)C(C)=C34)C(=O)C2=C1O)C(=O)OC
InChIKey
InChIKey=CMYBCPQGIHZHRL-UHFFFAOYSA-N
Formula
C24H19ClO6
Mass
438.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Angucyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Angucyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Angucyclines
Alternative Parents
Anthracenecarboxylic acids Anthraquinones Phenanthrols Naphthalenecarboxylic acids Naphthols and derivatives Chloronaphthalenes Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Methyl esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Angucycline core - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - Anthraquinone - Phenanthrol - Anthracene - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Chloronaphthalene - 2-naphthol - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Aryl chloride - Aryl halide - Methyl ester - Vinylogous acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as angucyclines. These are polyketides with a structure based on then benz[a]anthracene skeleton, with the particularity that the central ring of the anthracene moiety is a para-quinone.
External Descriptors
Not available