Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(NCCCCC(OC(C)=O)OC(C)=O)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=RBQJFBGSQDDJKT-UHFFFAOYSA-N
Formula
C36H43NO15
Mass
729.732
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 Anisoles Aryl ketones Acylals Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Acetals Dialkylamines Polyols Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides 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 - Aryl ketone - Anisole - Amino saccharide - Acylal - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Carboxylic acid ester - 1,2-aminoalcohol - Secondary alcohol - Amino acid or derivatives - Ketone - Secondary amine - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Amine - Organooxygen compound - Organic nitrogen 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