Compound Identification
SMILES
Cl.C[C@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2=C(O)c2c(O)cccc12
InChIKey
InChIKey=YCBNQGJWOHKUCM-IBVFHKCESA-N
Formula
C22H25ClN2O8
Mass
480.9
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 Naphthols and derivatives Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Gamma-amino ketones Fatty amides Alpha-branched alpha,beta-unsaturated ketones Acyloins Vinylogous acids Tertiary alcohols Enones Alpha-hydroxy ketones Acryloyl compounds 1,3-aminoalcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Amino acids and derivatives Polyols Carboxylic acid amides Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Gamma-aminoketone - Fatty amide - Acyloin - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxamide group - Amino acid or derivatives - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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