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]([NH3+])[C@H](O)[C@H](C)O4)C3=C1O)C(\CO)=N\NC(=O)CCN1C(=O)C=CC1=O)C2=O
InChIKey
InChIKey=YMRRNSYCRTWYSB-FNWPPTDXSA-N
Formula
C34H37ClN4O13
Mass
745.14
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
Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones Alkyl aryl ethers Maleimides Oxanes N-substituted carboxylic acid imides Vinylogous acids Tertiary alcohols Pyrrolines Dicarboximides Amino acids and derivatives Secondary alcohols 1,2-aminoalcohols Polyols Acetals Azacyclic compounds Oxacyclic compounds Primary alcohols Organic zwitterions Organic chloride salts Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Anisole - Aryl ketone - Amino saccharide - Maleimide - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Oxane - Monosaccharide - Benzenoid - Vinylogous acid - Tertiary alcohol - Pyrroline - Carboxylic acid imide - Dicarboximide - Ketone - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Acetal - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Primary amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Aldehyde - Alcohol - 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