Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4OC(C)C(O)C(O)C4I)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=CHSNJKKMYGDMRB-UHFFFAOYSA-N
Formula
C27H27IO12
Mass
670.405
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 Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Iodohydrins Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Alkyl iodides Organoiodides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Halohydrin - Ketone - Iodohydrin - Secondary alcohol - Polyol - Oxacycle - Acetal - Ether - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl halide - Primary alcohol - Alkyl iodide - 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