Compound Identification
SMILES
CC[C@@]1(O)CC(O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C2=C(C1)C(=O)C1=C(O)C3=C(C(N)=C1C2=O)C(OC)=CC=C3
InChIKey
InChIKey=OODJIUKOFNKKFM-KCOQOWARSA-N
Formula
C27H32N2O8
Mass
512.559
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 Quinones Alkyl aryl ethers Oxanes Primary aromatic amines Tertiary alcohols Vinylogous acids Vinylogous amides Secondary alcohols 1,2-aminoalcohols Acetals Oxacyclic compounds Organopnictogen compounds Organic oxides Aldehydes Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracycline - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Hydroxyanthraquinone - Hexose monosaccharide - Glycosyl compound - 1-naphthol - O-glycosyl compound - Naphthalene - Quinone - Aryl ketone - Anisole - Amino saccharide - Alkyl aryl ether - Benzenoid - Primary aromatic amine - Oxane - Monosaccharide - Vinylogous amide - Tertiary alcohol - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Aldehyde - Primary aliphatic amine - Alcohol - 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