Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C#CC1=CC2=C(NC(=O)C22[C@H](C3N([C@H]2C2=CC(OCCO)=CC=C2)[C@@H]([C@@H](OC3=O)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)NC2=CC=C(C=C2)N2CCN(CC2)C(C)=O)C=C1

InChIKey

InChIKey=XMECUAVYGKJVDV-CJPXOBJZSA-N

Formula

C56H51N5O8

Mass

922.051

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Stilbene - Alpha-amino acid ester - N-arylpiperazine - Phenylpiperazine - Phenylmorpholine - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Anilide - Tertiary aliphatic/aromatic amine - Pyrrolidine-3-carboxamide - Dialkylarylamine - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Anisole - N-arylamide - Phenoxy compound - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Benzenoid - N-alkylpyrrolidine - Piperazine - Pyrrolidine - Tertiary carboxylic acid amide - Pyrrole - Acetamide - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Tertiary amine - Carboxamide group - Lactone - Lactam - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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

Previous Back Next