Compound Identification
SMILES
CCOC(=O)C=C(C)NC1CC(OC2CC(O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)OC(C)C1O
InChIKey
InChIKey=VBMSIFVVWOBOHI-UHFFFAOYSA-N
Formula
C33H37NO13
Mass
655.653
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 Anthraquinones O-glycosyl compounds Tetralins Aryl ketones Anisoles Fatty acid esters Alkyl aryl ethers Monosaccharides Oxanes Vinylogous amides Enoate esters Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Enamines Dialkylamines Organic oxides Primary alcohols Hydrocarbon derivatives Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Amino saccharide - Fatty acyl - Monosaccharide - Benzenoid - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous amide - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Polyol - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Secondary aliphatic amine - Enamine - Ether - Monocarboxylic acid or derivatives - Aldehyde - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - Organic oxygen compound - Organopnictogen 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