Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)=C3CC(O)(CC(O[C@H]4C[C@@H]([C@H](O)[C@H](C)O4)N4CCOC[C@H]4C#N)C3=C1O)C(C)O)C2=O
InChIKey
InChIKey=GVBVCEMCOXJQND-FLQCQTAWSA-N
Formula
C32H36N2O11
Mass
624.643
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 Aminoglycosides Anthraquinones O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Monosaccharides Morpholines Oxanes Tertiary alcohols Vinylogous acids 1,2-aminoalcohols Secondary alcohols Trialkylamines Alpha-aminonitriles Acetals Dialkyl ethers Azacyclic compounds Polyols Oxacyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Amino saccharide - Alkyl aryl ether - Benzenoid - Oxazinane - Oxane - Monosaccharide - Morpholine - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Alpha-aminonitrile - Ketone - Organoheterocyclic compound - Acetal - Azacycle - Polyol - Dialkyl ether - Ether - Oxacycle - Nitrile - Carbonitrile - Organooxygen compound - Cyanide - Organopnictogen compound - Organic oxide - Alcohol - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Organic oxygen 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