Compound Identification
SMILES
COC1=CC=CC2=C1C(N)=C1C(=O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@@H]([C@H](O)[C@H](C)O3)N(CC3=CC=CC=C3)CC3=CC=CC=C3)C(C)=O)C(=O)C1=C2O
InChIKey
InChIKey=NZOPYLOEDCTSAY-CHTGVKMSSA-N
Formula
C41H42N2O9
Mass
706.792
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 Hydroxyanthraquinones Hexoses Naphthols and derivatives O-glycosyl compounds Anisoles Aryl ketones Benzylamines Phenylmethylamines Quinones Alkyl aryl ethers Aralkylamines Primary aromatic amines Oxanes Alpha-hydroxy ketones Tertiary alcohols Vinylogous acids Vinylogous amides Secondary alcohols Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Acetals Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Aminoglycoside core - Tetracenequinone - 1,4-anthraquinone - Hydroxyanthraquinone - 9,10-anthraquinone - Hexose monosaccharide - Glycosyl compound - 1-naphthol - O-glycosyl compound - Naphthalene - Benzylamine - Phenylmethylamine - Anisole - Quinone - Aryl ketone - Amino saccharide - Alkyl aryl ether - Aralkylamine - Primary aromatic amine - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Tertiary alcohol - Vinylogous acid - Vinylogous amide - Alpha-hydroxy ketone - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ketone - Organoheterocyclic compound - Acetal - Ether - Oxacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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