Compound Identification
SMILES
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(\C)=N/NC(=O)C1=CC(=CC=C1)[N+]([O-])=O)C2=O
InChIKey
InChIKey=XIIQHBKRPJNVMJ-TZEKVJAGSA-N
Formula
C34H34N4O12
Mass
690.662
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 Benzoic acids and derivatives Nitrobenzenes Anisoles Aryl ketones Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Oxanes Vinylogous acids Tertiary alcohols Amino acids and derivatives 1,2-aminoalcohols Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Polyols Acetals Aldehydes Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracyclinone-skeleton - Anthracycline - Tetracenequinone - Aminoglycoside core - 1,4-anthraquinone - 9,10-anthraquinone - Anthracene - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Tetralin - Benzoic acid or derivatives - Nitrobenzene - Anisole - Aryl ketone - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Amino saccharide - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Oxane - Vinylogous acid - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Polyol - Organic oxoazanium - Organic oxygen compound - Aldehyde - Organic salt - Alcohol - Amine - Organic zwitterion - Primary amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen 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