Compound Identification
SMILES
OC(=O)C1=C(COC(=O)C2=CC=CC(C(=O)C3=C(O)C(=CC(Cl)=C3)C(=O)C3=CC=CC=C3O)=C2O)CS[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N12
InChIKey
InChIKey=NFHIWKXCLBDNAL-GUZYMRFCSA-N
Formula
C37H27ClN2O12S
Mass
759.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Cephalosporins Benzophenones Aryl-phenylketones Diphenylmethanes N-acyl-alpha amino acids and derivatives o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives Phenoxy compounds P-chlorophenols Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides 1,3-thiazines Vinylogous acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Cephalosporin - Benzophenone - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Aryl-phenylketone - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Alpha-amino acid or derivatives - Cephem - Benzoic acid or derivatives - Phenoxy compound - Aryl ketone - 4-chlorophenol - Phenol ether - 4-halophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Alkyl aryl ether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Meta-thiazine - Aryl chloride - Vinylogous acid - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Azacycle - Carboxylic acid - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available