Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)CC[C@H](N)C(O)=O)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=SQUWGLCTNLPKFV-QTKJNHHKSA-N
Formula
C32H36N2O13
Mass
656.641
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 Anthraquinones Glutamine and derivatives Hexoses O-glycosyl compounds Tetralins L-alpha-amino acids Aryl ketones Anisoles Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Secondary carboxylic acid amides Amino acids Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Aldehydes Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Glutamine or derivatives - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - N-acyl-amine - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid - Ketone - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Polyol - Oxacycle - Acetal - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aldehyde - Amine - Primary aliphatic amine - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organic oxygen 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