Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(C(O)C(C)O4)N4CCOCC4C#N)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=YIMDLWDNDGKDTJ-WJRCOUIISA-N
Formula
C32H34N2O12
Mass
638.626
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 Alkyl aryl ethers Monosaccharides Morpholines Oxanes Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Alpha-aminonitriles Trialkylamines Secondary alcohols 1,2-aminoalcohols Acetals Oxacyclic compounds Polyols Azacyclic compounds Dialkyl ethers Primary alcohols Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic oxides
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 - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Benzenoid - Oxazinane - Oxane - Monosaccharide - Morpholine - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Alpha-aminonitrile - Ketone - Organoheterocyclic compound - Acetal - Polyol - Dialkyl ether - Ether - Oxacycle - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Cyanide - Organopnictogen compound - Carbonyl group - Aldehyde - Primary alcohol - Alcohol - Organonitrogen compound - Amine - Organic nitrogen compound - 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