Compound Identification
SMILES
Cl.COC1=CC=C(C=C1)C(=O)N\N=C(/C)C1(O)CC(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=XPJNALLKSPIRLR-VLLINASDSA-N
Formula
C35H38ClN3O11
Mass
712.15
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 O-glycosyl compounds Tetralins Benzoic acids and derivatives Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Polyols Acetals Oxacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
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 - Benzoic acid or derivatives - Benzoyl - Aryl ketone - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Amino saccharide - Alkyl aryl ether - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Oxane - Vinylogous acid - Tertiary alcohol - Ketone - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Alcohol - Primary aliphatic amine - Aldehyde - Primary amine - 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