Compound Identification
SMILES
CC1OC(CCC1O)c1ccc2C(=O)C3=C(C=CC4(O)CC(C)(O)CC(=O)C34O)C(=O)c2c1O
InChIKey
InChIKey=TVFQLZLJOTZQQW-UHFFFAOYSA-N
Formula
C25H26O9
Mass
470.474
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
Hydroxyanthraquinones Naphthalenes Quinones Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angucycline core - 9,10-anthraquinone - Anthraquinone - Hydroxyanthraquinone - Naphthalene - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Cyclic alcohol - Vinylogous acid - Tertiary alcohol - Ketone - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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