Compound Identification
SMILES
CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)C2=C(C=C3C(=O)C4=C(C(OC)=CC=C4)C(=O)C3=C2O)C1C(=O)OC
InChIKey
InChIKey=ZLZGCVLBDYRXJV-UHFFFAOYSA-N
Formula
C43H55NO15
Mass
825.905
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 Anthracenecarboxylic acids Anthraquinones Naphthalenecarboxylic acids and derivatives Disaccharides O-glycosyl compounds Tetralins Anisoles Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Methyl esters Vinylogous acids Tertiary alcohols Cyclic ketones Secondary alcohols Amino acids and derivatives Trialkylamines Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - 1-naphthalenecarboxylic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Oxane - Methyl ester - Vinylogous acid - Tertiary alcohol - Ketone - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Cyclic ketone - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - Organonitrogen 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