Compound Identification
SMILES
[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])N=C(O)COC1=CC=CC=C1)C(O)=O.[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=NCN4CCN(CCO)CC4)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O
InChIKey
InChIKey=MEGKRPMNPGTIIG-VNYBMUHKSA-N
Formula
C45H56N6O14S
Mass
937.03
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
Dipeptides Naphthacenes Anthracenecarboxylic acids and derivatives Penicillins N-acyl-alpha amino acids and derivatives Tetralins Aryl ketones Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids N-alkylpiperazines 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Aralkylamines Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Vinylogous acids Thiazolidines 1,2-aminoalcohols Trialkylamines Secondary carboxylic acid amides Azetidines Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Polyols Dialkylthioethers Monocarboxylic acids and derivatives Enols Organic oxides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tetracycline - Alpha-dipeptide - Tetracene - Naphthacene - Anthracene carboxylic acid or derivatives - Penicillin - N-acyl-alpha amino acid or derivatives - Tetralin - Alpha-amino acid or derivatives - Penam - Phenoxy compound - Phenol ether - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Cyclohexenone - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Tertiary alcohol - Vinylogous acid - Tertiary aliphatic amine - Amino acid or derivatives - Azetidine - 1,2-aminoalcohol - Tertiary amine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Polyol - Alkanolamine - Monocarboxylic acid or derivatives - Dialkylthioether - Thioether - Ether - Enol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hemithioaminal - Primary alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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
CHEBI:75258 : penicillinate salt