Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)C(N)CCN)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=OXRRWZHNLXPQBD-JZKZOKNXSA-N
Formula
C31H37N3O11
Mass
627.647
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 Alpha amino acid amides Hexoses O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Monoalkylamines Organic oxides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - N-acyl-amine - Monosaccharide - Fatty acyl - Fatty amide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Ketone - Ether - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Primary aliphatic amine - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary amine - Organopnictogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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