Compound Identification
SMILES
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C1=CC=CC(C(=O)C3=C(O)C(=CC(Cl)=C3)C(=O)C3=CC=CC=C3O)=C1O)C2=O)C(O)=O
InChIKey
InChIKey=OPKLBCFVFIJTMW-YKGWIAGDSA-N
Formula
C31H23ClN2O11S
Mass
667.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
-
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
Benzophenones Diphenylmethanes N-acyl-alpha amino acids and derivatives Aryl-phenylketones Salicylamides Benzamides Cephems P-chlorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Vinylogous acids Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzophenone - N-acyl-alpha amino acid or derivatives - Aryl-phenylketone - Diphenylmethane - Alpha-amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Cephem - Aryl ketone - 4-halophenol - 4-chlorophenol - Benzoyl - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Phenol - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous acid - Tertiary carboxylic acid amide - Beta-lactam - Lactam - Ketone - Azetidine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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