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=CN=CC=C1)C2=O
InChIKey
InChIKey=XNPXCAQTDHPAQC-UHFFFAOYSA-N
Formula
C33H32N2O12
Mass
648.621
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 Tetralins Pyridinecarboxylic acids Aryl ketones Anisoles Alkyl aryl ethers Oxanes Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Heteroaromatic compounds Amino acids and derivatives Secondary alcohols Carboxylic acid esters 1,2-aminoalcohols Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Pyridine - Monosaccharide - Oxane - Heteroaromatic compound - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - 1,2-aminoalcohol - Ketone - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Acetal - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Primary aliphatic amine - Organonitrogen compound - Alcohol - 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