Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(CC(O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)OO)C2=O
InChIKey
InChIKey=ZBDFQBQQXPHVSQ-SHSGZTQJSA-N
Formula
C26H27NO12
Mass
545.497
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 Aminoglycosides Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Sugar acids and derivatives Oxanes Peroxycarboxylic acids Vinylogous acids Tertiary alcohols Amino acids and derivatives Organic hydroperoxides 1,2-aminoalcohols Secondary alcohols Acetals Oxacyclic compounds Polyols Peroxols Monocarboxylic acids and derivatives Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Sugar acid - Alkyl aryl ether - Amino saccharide - Benzenoid - Monosaccharide - Oxane - Peroxycarboxylic acid or derivatives - Peroxycarboxylic acid - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Secondary alcohol - Hydroperoxide - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Acetal - Oxacycle - Peroxol - Polyol - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Aldehyde - Alcohol - Organooxygen compound - 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