Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NCC5=CC=CC=C5[N+]([O-])=O)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=JQOVRTCHXXVGJV-DWLKYHLXSA-N
Formula
C34H34N2O13
Mass
678.647
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 Aminoglycosides Anthraquinones O-glycosyl compounds Tetralins Nitrobenzenes Anisoles Aryl ketones Benzylamines Nitroaromatic compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Oxanes Monosaccharides Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Polyols Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Acetals Dialkylamines Organopnictogen compounds Organic oxides Organic zwitterions Primary alcohols Aldehydes Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Nitrobenzene - Benzylamine - Phenylmethylamine - Anisole - Aryl ketone - Nitroaromatic compound - Alkyl aryl ether - Aralkylamine - Amino saccharide - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Alpha-hydroxy ketone - Tertiary alcohol - C-nitro compound - Secondary alcohol - Ketone - 1,2-aminoalcohol - Organic nitro compound - Organic oxoazanium - Acetal - Polyol - Secondary amine - Oxacycle - Allyl-type 1,3-dipolar organic compound - Ether - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen 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