Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4I)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=TVTRKVQTCXCERI-UHFFFAOYSA-N
Formula
C31H31IO13
Mass
738.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Anthracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Anthracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Anthracyclines
Alternative Parents
Tetracenequinones Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Carboxylic acid esters Polyols Oxacyclic compounds Acetals Organoiodides Organic oxides Hydrocarbon derivatives Alkyl iodides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
External Descriptors
Not available