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)[C@@H]5CCCN5C(=O)CNC(=O)OCC5=CC=CC=C5)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)CO)C2=O
InChIKey
InChIKey=XODLUEHOKXEROD-NNPZSHCMSA-N
Formula
C42H45N3O15
Mass
831.828
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
Dipeptides Tetracenequinones Anthraquinones Proline and derivatives Alpha amino acid amides O-glycosyl compounds Tetralins Benzyloxycarbonyls Pyrrolidinecarboxamides Anisoles Aryl ketones N-acylpyrrolidines Alkyl aryl ethers Oxanes Monosaccharides Tertiary alcohols Tertiary carboxylic acid amides Alpha-hydroxy ketones Carbamate esters Vinylogous acids Secondary alcohols Secondary carboxylic acid amides Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Primary alcohols Organonitrogen compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Alpha-dipeptide - Tetracenequinone - Alpha peptide - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Proline or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Alpha-amino acid or derivatives - Tetralin - Benzyloxycarbonyl - Anisole - N-acylpyrrolidine - Aryl ketone - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Monosaccharide - Monocyclic benzene moiety - Oxane - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Carbamic acid ester - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrrolidine - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Carboxamide group - Polyol - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aldehyde - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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