Compound Identification
SMILES
CN(C)[C@@H]1C(=O)[C@@H](C(N)=O)C(=O)[C@@]2(C#N)C(=O)[C@H]3C(=O)c4c(O)c(cc(N(C)C)c4C[C@@]3(N)C[C@@]12N)-c1cccc(c1)[N+]([O-])=O
InChIKey
InChIKey=JYOWLNHJHNTXIB-MPUQHQAWSA-N
Formula
C30H31N7O8
Mass
617.619
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Tetracyclines
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tetracyclines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetracyclines
Alternative Parents
Anthracenecarboxylic acids and derivatives Phenylnaphthalenes Naphthalenecarboxamides Tetralins Nitrobenzenes Aryl alkyl ketones Dialkylarylamines Nitroaromatic compounds Phenols Aralkylamines Beta-diketones Vinylogous acids Primary carboxylic acid amides Cyclic ketones Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Monoalkylamines Organic zwitterions Organic salts
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - Phenylnaphthalene - 2-naphthalenecarboxamide - Tetralin - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Aryl ketone - Dialkylarylamine - Aryl alkyl ketone - Phenol - 1,3-diketone - Aralkylamine - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Vinylogous acid - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Ketone - Cyclic ketone - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Primary aliphatic amine - Hydrocarbon derivative - Amine - Cyanide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Primary amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
External Descriptors
Not available