Compound Identification
SMILES
CC1OC(CC2OC3CC(=O)C(C)OC3OC12)C1=C(O)C2=C(C=C1)C(=O)C1=C(C=CC3=C1C(=O)CC(C)(O)C3)C2=O
InChIKey
InChIKey=IVVLBSCKLIYBCU-UHFFFAOYSA-N
Formula
C31H30O10
Mass
562.571
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 Pyranodioxins Tetralins Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1,4-dioxanes Oxanes Tertiary alcohols Vinylogous acids Cyclic ketones Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angucycline core - 9,10-anthraquinone - Anthraquinone - Phenanthrol - Anthracene - Phenanthrene - Pyranodioxin - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Para-dioxane - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - Cyclic ketone - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Aldehyde - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic 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