Compound Identification
SMILES
Cl.CCOC(OCC)C(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=C(C(OC)=CC=C1)C3=O
InChIKey
InChIKey=PJODMULXZJQLDJ-IQERGXPZSA-N
Formula
C33H40ClNO14
Mass
710.13
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 Alpha-acyloxy ketones Oxanes Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Amino acids and derivatives Secondary alcohols Carboxylic acid esters 1,2-aminoalcohols Acetals Monocarboxylic acids and derivatives Polyols Oxacyclic compounds Hydrochlorides Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
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 - Alpha-acyloxy ketone - Amino saccharide - Benzenoid - Oxane - Monosaccharide - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Acetal - Carboxylic acid derivative - Polyol - Oxacycle - Alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Primary aliphatic amine - Organonitrogen compound - Aldehyde - Organooxygen compound - Primary 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