Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3C[C@](O)(C[C@H](OC4CC(NC(=O)C(CCCCN)NC(=O)C5CCCN5)C(O)C(C)O4)C3=C1O)C(C)=O)C2=O
InChIKey
InChIKey=VXCAVGXXMJBDPC-QHULQITJSA-N
Formula
C38H48N4O12
Mass
752.818
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 N-acyl-alpha amino acids and derivatives Proline and derivatives Hexoses Alpha amino acid amides O-glycosyl compounds Tetralins Anisoles Pyrrolidinecarboxamides Aryl ketones Alkyl aryl ethers Oxanes N-acyl amines Vinylogous acids Alpha-hydroxy ketones Tertiary alcohols Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Polyols Dialkylamines Azacyclic compounds Acetals Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Alpha-dipeptide - Alpha peptide - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Proline or derivatives - 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 - Anisole - Aryl ketone - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Oxane - Benzenoid - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Secondary amine - Polyol - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Acetal - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Primary amine - Carbonyl group - Organic nitrogen compound - Aldehyde - Organooxygen compound - Organonitrogen compound - Amine - 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