Compound Identification
SMILES
COC1=CC(O)=C2C(=O)C3=CC4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(=O)NC(C(O)=O)C(O)=O)=C(C)C=C1[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@H]4O
InChIKey
InChIKey=LWDJLILCYOYWDO-AQXZZABRSA-N
Formula
C39H39NO21
Mass
857.727
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthacenes
- Subclass Tetracenequinones
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Class
Naphthacenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthacenes
Subclass
Tetracenequinones
Intermediate Tree Nodes
Not available
Direct Parent
Tetracenequinones
Alternative Parents
Anthraquinones Phenanthrenes and derivatives N-acyl-alpha amino acids Naphthalenecarboxamides Disaccharides Naphthols and derivatives O-glycosyl compounds Salicylic acid and derivatives Anisoles Aryl ketones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1,3-dicarbonyl compounds Oxanes Dicarboxylic acids and derivatives Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Polyols Acetals Carboxylic acids Oxacyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Phenanthrene - Anthracene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxamide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - O-glycosyl compound - 1-naphthol - Disaccharide - Glycosyl compound - Alpha-amino acid or derivatives - Salicylic acid or derivatives - Anisole - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Oxane - Vinylogous acid - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketone - Oxacycle - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Ether - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.
External Descriptors
Not available