Compound Identification
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C1=C(CN2CCC(F)(F)CC2)C=CO1
InChIKey
InChIKey=BXXCXYDOIKZNQG-AIZPGUGSSA-N
Formula
C31H33F2N3O8
Mass
613.615
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 Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperidines Vinylogous acids Tertiary alcohols Heteroaromatic compounds Furans Trialkylamines Primary carboxylic acid amides Cyclic alcohols and derivatives Amino acids and derivatives Polyols Oxacyclic compounds Enols Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Piperidine - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Furan - Cyclic alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - 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