Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](NC(=O)OCC4=CC(=C(O[C@@H]5O[C@H](C(O)C(O)=O)[C@H](O)[C@H]5O)C=C4)[N+]([O-])=O)[C@H](O)[C@H](C)O3)C(=O)CO)C=C1C2=O
InChIKey
InChIKey=GOFYSJYNZQDXSR-DRQWGHAFSA-N
Formula
C41H42N2O21
Mass
898.78
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-glycosyl compounds Benzyloxycarbonyls Tetralins Nitrobenzenes Phenoxy compounds Anisoles Aryl ketones Nitroaromatic compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Oxanes Monosaccharides Tertiary alcohols Alpha-hydroxy ketones Oxolanes Vinylogous acids Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Acetals Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Aldehydes Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Phenolic glycoside - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Benzyloxycarbonyl - Nitrobenzene - Phenol ether - Nitroaromatic compound - Phenoxy compound - Aryl ketone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Alpha-hydroxy acid - Monosaccharide - Oxane - Hydroxy acid - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Oxolane - Tertiary alcohol - Vinylogous acid - Carbamic acid ester - Organic nitro compound - Secondary alcohol - Ketone - C-nitro compound - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Aldehyde - Organonitrogen compound - Organic salt - 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