Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CN1C(=O)CCC1=O)C2=O
InChIKey
InChIKey=RHDRKPUMMVQZKK-NZOGRDBNSA-N
Formula
C31H32N2O12
Mass
624.599
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 Anisoles Aryl ketones Alkyl aryl ethers Pyrrolidine-2-ones Oxanes N-alkylpyrrolidines N-substituted carboxylic acid imides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Dicarboximides Amino acids and derivatives Lactams Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Polyols Azacyclic compounds Acetals Aldehydes Organic oxides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
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 - Anisole - Aryl ketone - Amino saccharide - Alkyl aryl ether - N-alkylpyrrolidine - Monosaccharide - Carboxylic acid imide, n-substituted - Oxane - Benzenoid - Pyrrolidone - 2-pyrrolidone - Alpha-hydroxy ketone - Vinylogous acid - Dicarboximide - Pyrrolidine - Carboxylic acid imide - Tertiary alcohol - Lactam - Amino acid or derivatives - 1,2-aminoalcohol - Ketone - Secondary alcohol - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Alcohol - Carbonyl group - Aldehyde - Primary amine - Organooxygen compound - Amine - 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