Compound Identification
SMILES
CO[C@H]1[C@@H](CC2=CC(=O)C3=C(C=C4C(=O)[C@@]5(O)C6=C(O)C(C(=O)OC)=C(C)C=C6CC(O)[C@@]5(OC)C(=O)C4=C3O)C2(O)CC2=COC(CC(C)O)=C2)O[C@@H](C)[C@H](CO)[C@H]1O
InChIKey
InChIKey=RAYFZODIYWYYFZ-XWLHEKBQSA-N
Formula
C43H48O17
Mass
836.84
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 Phenanthrenes and derivatives Naphthalenecarboxylic acids Tetralins Salicylic acid and derivatives Aryl alkyl ketones Quinones 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes Vinylogous acids Tertiary alcohols Furans Heteroaromatic compounds Methyl esters Secondary alcohols Dialkyl ethers Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Salicylic acid or derivatives - Naphthalene - Tetralin - Quinone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monosaccharide - Oxane - Benzenoid - Furan - Heteroaromatic compound - Vinylogous acid - Methyl ester - Tertiary alcohol - Ketone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary 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