Compound Identification
SMILES
[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=[NH+]CN4CCN(CCO)CC4)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(C=CC=C1O)[C@@]2(C)O
InChIKey
InChIKey=XATZHCXBMKRRDO-REHNUXHNSA-O
Formula
C29H39N4O9
Mass
587.649
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
Naphthacenes Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines N-alkylpiperazines Cyclohexenones Vinylogous acids Tertiary alcohols Trialkylamines 1,2-aminoalcohols Polyols Azacyclic compounds Carboximidic acids and derivatives Enols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetracycline - Naphthacene - Tetracene - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - Aralkylamine - Cyclohexenone - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous acid - Tertiary alcohol - Ketone - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboximidic acid derivative - Enol - Alkanolamine - Polyol - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic oxygen compound - Alcohol - Organic cation - 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:75267 : organic cation