Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3=C1O)C(\C)=N/NC(=O)CC1=CC=C(C=C1)N1C(=O)C=CC1=O)C2=O
InChIKey
InChIKey=RUECUJJKXLCVSH-YXXXHVCCSA-N
Formula
C39H38N4O12
Mass
754.749
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 Phenylpyrrolines Phenylacetamides Tetralins Anisoles Aryl ketones Alkyl aryl ethers Maleimides Oxanes N-substituted carboxylic acid imides Vinylogous acids Pyrroles Dicarboximides Tertiary alcohols Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Polyols Azacyclic compounds Acetals Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Aldehydes Organic oxides Organopnictogen compounds
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 - 1-phenylpyrroline - Phenylacetamide - Tetralin - Anisole - Aryl ketone - Amino saccharide - Maleimide - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Carboxylic acid imide, n-substituted - Benzenoid - Oxane - Tertiary alcohol - Carboxylic acid imide - Dicarboximide - Pyrroline - Pyrrole - Vinylogous acid - Amino acid or derivatives - Ketone - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Aldehyde - Organooxygen compound - 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