Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4C[C@H](NC(=O)OCC5=C(N6[C@H](\C(=C/OC(=O)C(C)(C)C)C6=O)S(=O)(=O)C5)C(=O)OC(C)(C)C)[C@@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=KUJDTIFTQDHDRY-YNMXEYSLSA-N
Formula
C46H52N2O20S
Mass
984.98
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 Alpha amino acids and derivatives Cephems Aryl ketones Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Monosaccharides 1,3-thiazines Oxanes Carbamate esters Vinylogous acids Alpha-hydroxy ketones Sulfones Tertiary alcohols Enol esters Enoate esters Tertiary carboxylic acid amides Secondary alcohols Azetidines Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Aldehydes Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - O-glycosyl compound - Glycosyl compound - Tetralin - Alpha-amino acid or derivatives - Cephem - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - Meta-thiazine - Oxane - Monosaccharide - Alpha-hydroxy ketone - Vinylogous acid - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Carbamic acid ester - Tertiary carboxylic acid amide - Tertiary alcohol - Sulfone - Secondary alcohol - Lactam - Ketone - Azetidine - Carboxamide group - Carboxylic acid ester - Polyol - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Organooxygen compound - Primary alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Aldehyde - Hydrocarbon derivative - 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