Compound Identification
SMILES
COc1cc(O)c2c(O)c3C(=O)[C@@]4(O)C(O)=C(C(N)=O)C(=O)C[C@@]4(O)Cc3cc2c1
InChIKey
InChIKey=HWLAJZAXDIBLQS-VQTJNVASSA-N
Formula
C20H17NO9
Mass
415.354
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 Tetralins Aryl alkyl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Cyclohexenones Vinylogous acids Tertiary alcohols Primary carboxylic acid amides 1,2-diols Enols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - Tetralin - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Benzenoid - Vinylogous acid - Tertiary alcohol - 1,2-diol - Carboxamide group - Ketone - Primary carboxylic acid amide - Cyclic ketone - Ether - Enol - Carboxylic acid derivative - Polyol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - 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