Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C2=O)C2=C(CCCC2O)C=C1
InChIKey
InChIKey=HHEHQAADQWBRBO-UHFFFAOYSA-N
Formula
C19H16O4
Mass
308.333
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
Anthraquinones Phenanthrols Tetralins Aryl ketones Anisoles Alkyl aryl ethers Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Angucycline core - 9,10-anthraquinone - Anthraquinone - Phenanthrol - Phenanthrene - Anthracene - Tetralin - Aryl ketone - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Secondary alcohol - Ketone - Ether - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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