Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)C5=CN=C(N)C=C5)[C@@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=RRLPLANBCUXSNE-OXUISVBBSA-N
Formula
C33H33N3O12
Mass
663.636
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 Nicotinamides Anisoles Aryl ketones Alkyl aryl ethers Aminopyridines and derivatives Primary aromatic amines Imidolactams Monosaccharides Oxanes Tertiary alcohols Heteroaromatic compounds Vinylogous acids Alpha-hydroxy ketones Secondary alcohols Secondary carboxylic acid amides Amino acids and derivatives Acetals Azacyclic compounds Polyols Oxacyclic compounds Aldehydes Hydrocarbon derivatives Primary alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Anisole - Aryl ketone - Alkyl aryl ether - Aminopyridine - Monosaccharide - Imidolactam - Oxane - Primary aromatic amine - Benzenoid - Pyridine - Tertiary alcohol - Alpha-hydroxy ketone - Heteroaromatic compound - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Ketone - Carboxamide group - Polyol - Acetal - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Primary amine - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aldehyde - Amine - Primary alcohol - 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