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)CCC(=O)OC5=CC6=C(C=C5)[C@H]5CC[C@@]7(C)[C@@H](CCC7=O)[C@@H]5CC6)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=RSVHGZHRBYURIY-TYJDMRQASA-N
Formula
C49H53NO15
Mass
895.955
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
Steroidal glycosides Steroid esters Tetracenequinones Estrane steroids 17-oxosteroids Anthraquinones Phenanthrenes and derivatives O-glycosyl compounds Tetralins Aryl ketones Anisoles Alkyl aryl ethers N-acyl amines Oxanes Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Steroidal glycoside - Steroid ester - Tetracenequinone - Estrane-skeleton - 17-oxosteroid - Oxosteroid - Steroid - 1,4-anthraquinone - 9,10-anthraquinone - Phenanthrene - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - N-acyl-amine - Monosaccharide - Oxane - Fatty amide - Benzenoid - Fatty acyl - Alpha-hydroxy ketone - Tertiary alcohol - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Ketone - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organopnictogen compound - Aldehyde - Organic nitrogen compound - Organic oxide - Primary 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