Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(OC4CC(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=CDHGOTVWPGUYTQ-UHFFFAOYSA-N
Formula
C41H34N2O17
Mass
826.72
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 Nitrobenzoic acids and derivatives O-glycosyl compounds Benzoic acid esters Tetralins Nitrobenzenes Anisoles Aryl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Oxanes Dicarboxylic acids and derivatives Monosaccharides Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Polyols Acetals Oxacyclic compounds Organic oxoazanium compounds Aldehydes Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Nitrobenzoate - Glycosyl compound - O-glycosyl compound - Benzoate ester - Tetralin - Benzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl ketone - Nitroaromatic compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Carboxylic acid ester - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Polyol - Acetal - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Aldehyde - 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