Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)CCC(C)(C)C(C)O)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=QYQMVNRKALRGFC-CNBUREAASA-N
Formula
C35H43NO12
Mass
669.724
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 Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Acetals Polyols Oxacyclic compounds Organopnictogen compounds Aldehydes Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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 - Anisole - Aryl ketone - Alkyl aryl ether - Benzenoid - Fatty amide - Fatty acyl - Oxane - Monosaccharide - N-acyl-amine - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ketone - Acetal - Ether - Oxacycle - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Aldehyde - 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