Compound Identification
SMILES
CN(C)[C@H]1C2CC3Cc4c(cc(NC(=O)CN5CCSCC5)c(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O)N(C)C
InChIKey
InChIKey=VUKNISGQKWSNIG-MELQAVIYSA-N
Formula
C29H37N5O8S
Mass
615.7
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 Alpha amino acid amides Naphthols and derivatives Dialkylarylamines N-arylamides Aralkylamines Cyclohexenones Thiomorpholines Tertiary alcohols Vinylogous acids Secondary carboxylic acid amides Trialkylamines Cyclic alcohols and derivatives Primary carboxylic acid amides Enols Dialkylthioethers Azacyclic compounds Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - Alpha-amino acid amide - 1-naphthol - Alpha-amino acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-arylamide - Cyclohexenone - Aralkylamine - 1,4-thiazinane - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Cyclic ketone - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Ketone - Thioether - Organoheterocyclic compound - Azacycle - Dialkylthioether - Polyol - Carboxylic acid derivative - Enol - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - 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
Not available