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)COCC(=O)NCCNC(=O)COCC(=O)ON5C(=O)CCC5=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=IHBADKOZEHVVHY-JYTNDPEWSA-N
Formula
C41H46N4O20
Mass
914.827
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 O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers Monosaccharides Pyrrolidine-2-ones Oxanes Vinylogous acids Tertiary alcohols Dicarboximides Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Lactams Acetals Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Aldehydes Primary alcohols Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Monosaccharide - Benzenoid - 2-pyrrolidone - Oxane - Pyrrolidone - Dicarboximide - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Pyrrolidine - Lactam - Ketone - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Polyol - Acetal - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - 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