Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)C(N)CC(C)C)C(O)C(C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=HROXIDVVXKDCBD-YKZIBYIISA-N
Formula
C33H40N2O12
Mass
656.685
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 Leucine and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Acetals Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aldehydes Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Leucine or derivatives - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Fatty acyl - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Benzenoid - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - Amino acid or derivatives - Ketone - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Carbonyl group - Primary alcohol - Organic nitrogen compound - Alcohol - Primary aliphatic 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