Compound Identification
SMILES
Cl.COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](O[C@H]4C[C@H](NC(=O)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=ZVPGKONLVQAMJZ-SGLHZKEVSA-N
Formula
C33H40ClN3O12
Mass
706.14
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
Peptoid-peptide hybrids Tetracenequinones Dipeptides Anthraquinones N-acyl-alpha amino acids and derivatives Alpha amino acid amides Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Trialkylamines Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Acetals Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Peptoid/peptide hybrid - Alpha-dipeptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Aryl ketone - Anisole - Alkyl aryl ether - Monosaccharide - Benzenoid - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Tertiary aliphatic amine - Secondary alcohol - Ketone - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Polyol - Organoheterocyclic compound - Acetal - Ether - Oxacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrochloride - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen 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