Compound Identification
SMILES
COC1=CC=CC2=C1C(=O)C1=C(C(O)C3=C([C@@H](C[C@@H]4C[C@H](N)[C@@H](O)[C@H](C)O4)C[C@](O)(C3)C(\C)=N\NC(=O)C3=CC=CC=C3)C1O)C2=O
InChIKey
InChIKey=XKUPFLHXCJDOQF-ANRFSBFLSA-N
Formula
C35H39N3O9
Mass
645.709
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 Anthraquinones Naphthalenes Benzoic acids and derivatives Anisoles Quinones Aryl ketones Benzoyl derivatives Alkyl aryl ethers Oxanes Monosaccharides Tertiary alcohols 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Dialkyl ethers Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Naphthalene - Benzoic acid or derivatives - Anisole - Aryl ketone - Benzoyl - Quinone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Dialkyl ether - Ether - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Amine - Organonitrogen compound - Organic oxygen compound - Primary aliphatic 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