Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4C[C@H](N)[C@@H](OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H](C)O4)C3=C1O)C(O)CO)C2=O
InChIKey
InChIKey=RNWJVHMQGJRPRU-KLZPZYPDSA-N
Formula
C33H39NO17
Mass
721.665
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 Anthraquinones O-glucuronides Disaccharides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Beta hydroxy acids and derivatives Oxanes Pyrans Vinylogous acids Tertiary alcohols Amino acids Secondary alcohols Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Aldehydes Monoalkylamines Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Beta-hydroxy acid - Amino saccharide - Pyran - Oxane - Benzenoid - Hydroxy acid - Tertiary alcohol - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - Amino acid - Ketone - Acetal - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aldehyde - Primary amine - Amine - Primary alcohol - Organic nitrogen compound - Alcohol - Primary aliphatic amine - 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