Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NCN)[C@H](O[C@H]5C[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=JMUGNSSIVUKHPP-LGJUJKMASA-N
Formula
C34H42N2O13
Mass
686.711
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 Disaccharides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Acetals Aminals Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Organoheterocyclic compound - Oxacycle - Polyol - Aminal - Acetal - Ether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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