Compound Identification
SMILES
Cl.COC1CCN(CC1)[C@H]1C[C@H](O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(C)=O)O[C@@H](C)[C@H]1O
InChIKey
InChIKey=FMEIFYSXWGGLCT-QJEDGGCPSA-N
Formula
C33H40ClNO11
Mass
662.13
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 Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Piperidines Oxanes Tertiary alcohols Alpha-hydroxy ketones Vinylogous acids 1,2-aminoalcohols Secondary alcohols Trialkylamines Acetals Dialkyl ethers Azacyclic compounds Polyols Oxacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - Aryl ketone - Alkyl aryl ether - Amino saccharide - Benzenoid - Monosaccharide - Oxane - Piperidine - Alpha-hydroxy ketone - Vinylogous acid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Ketone - 1,2-aminoalcohol - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrochloride - Aldehyde - Alcohol - Organonitrogen 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