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)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=YETCVLRZRHJPFM-VTJVMDQPSA-N
Formula
C33H39N3O12
Mass
669.684
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 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 - Hexose monosaccharide - Alpha-amino acid amide - Glycosyl compound - O-glycosyl compound - Tetralin - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Aryl ketone - Anisole - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Tertiary aliphatic amine - Ketone - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Polyol - Oxacycle - Acetal - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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