Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NC(=O)CN(C)C)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=JYYNOMGPDJDNER-UHFFFAOYSA-N
Formula
C31H37ClN2O11
Mass
649.09
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 Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Alpha-amino acid amide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary alcohol - Carboxamide group - Ketone - Carboxylic acid derivative - Acetal - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Hydrocarbon derivative - Hydrochloride - Aldehyde - Carbonyl group - 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