Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(N)C(O)C(C)O4)C3=C1O)C(=O)COC(=O)C1=NC3=CC=CC=C3C=C1O)C2=O
InChIKey
InChIKey=VTDMDKFOXVFPGY-UHFFFAOYSA-N
Formula
C37H34N2O13
Mass
714.68
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 Hexoses O-glycosyl compounds Hydroxyquinolines Tetralins Pyridinecarboxylic acids Aryl ketones Anisoles Hydroxypyridines Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Hydroxyquinoline - Glycosyl compound - Tetralin - Quinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl ketone - Anisole - Hydroxypyridine - Amino saccharide - Alkyl aryl ether - Benzenoid - Pyridine - Oxane - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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