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](N)[C@H](O)[C@H](C)O4)C3=C1O)C(=O)COC(=O)\C=C\C1=CC(OC)=C(O)C=C1)C2=O
InChIKey
InChIKey=YMIZIHFZAZWBEU-VRHYCYNLSA-N
Formula
C37H38ClNO14
Mass
756.15
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 Coumaric acids and derivatives Cinnamic acid esters O-glycosyl compounds Tetralins Methoxyphenols Methoxybenzenes Styrenes Phenoxy compounds Aryl ketones Anisoles Alpha-acyloxy ketones Alkyl aryl ethers Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Tertiary alcohols Enoate esters Alpha-hydroxy ketones Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Acetals Monocarboxylic acids and derivatives Polyols Oxacyclic compounds Hydrochlorides Monoalkylamines Organic oxides Organopnictogen compounds Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Anthracyclinone-skeleton - Tetracenequinone - Aminoglycoside core - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Hexose monosaccharide - Cinnamic acid or derivatives - Coumaric acid or derivatives - O-glycosyl compound - Glycosyl compound - Methoxyphenol - Tetralin - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Styrene - Aryl ketone - Alpha-acyloxy ketone - Amino saccharide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Alpha-hydroxy ketone - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Ketone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Primary aliphatic amine - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Primary amine - Alcohol - Aldehyde - 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