Compound Identification
SMILES
CO[C@@H]1[C@@H](O)N(CCN1C(=O)OCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)C(O)[C@H]2O)C(O)=O)C=C1)[C@@H]1C[C@H](C)O[C@H](C1)O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(=O)CO
InChIKey
InChIKey=BHDCERSRYHTPRH-MTXFJJCASA-N
Formula
C46H52N2O21
Mass
968.915
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 Phenolic glycosides O-glucuronides O-glycosyl compounds Benzyloxycarbonyls Tetralins Piperazine carboxylic acids Aryl ketones Phenoxy compounds Anisoles Beta hydroxy acids and derivatives Alkyl aryl ethers N-alkylpiperazines Oxanes Pyrans Monosaccharides Vinylogous acids Carbamate esters Tertiary alcohols Alpha-hydroxy ketones Hemiaminals Secondary alcohols Carboxylic acids Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Acetals Hydrocarbon derivatives Aldehydes Organic oxides Primary alcohols Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenolic glycoside - O-glucuronide - Anthracene - 1-o-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Tetralin - Piperazine-1-carboxylic acid - Aryl ketone - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Beta-hydroxy acid - N-alkylpiperazine - Pyran - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Oxane - Hydroxy acid - Monosaccharide - Benzenoid - Alpha-hydroxy ketone - Tertiary alcohol - Carbamic acid ester - Vinylogous acid - Ketone - Hemiaminal - Secondary alcohol - Alkanolamine - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Polyol - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Primary alcohol - Organonitrogen compound - Organooxygen 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