Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)C1=C(C=C3)C(=O)C2=C(C(O)=CC=C2)C1=O
InChIKey
InChIKey=PAIQWHHDTQWTKT-AGFAMRBXSA-N
Formula
C30H36O3
Mass
444.615
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
Oxosteroids Delta-7-steroids Anthraquinones Sesquiterpenoids Phenanthrenes and derivatives Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Angucycline core - 1-oxosteroid - Oxosteroid - 4-oxosteroid - Steroid - Delta-7-steroid - 9,10-anthraquinone - Anthraquinone - Sesquiterpenoid - Phenanthrene - Anthracene - Tetralin - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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