Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C#CC1=CC2=C(C=C1)N(C(=O)NC(C)C1=CC=CC=C1)C(=O)C21C(C2N(C1C1=CC(OCCO)=CC=C1)C(C(OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=PVLNUTQKWIKKBC-UHFFFAOYSA-N

Formula

C53H45N3O9

Mass

867.955

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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 - Phenylmorpholine - Indolecarboxylic acid derivative - 2-phenylpyrrolidine - Polyethylene glycol - Alpha-amino acid or derivatives - Indole or derivatives - Phenoxy compound - Methoxybenzene - Pyrroline carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol ether - Anisole - Aralkylamine - Hydroxy fatty acid - Fatty acid ester - Amino fatty acid - Alkyl aryl ether - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Oxazinane - N-acyl-amine - Morpholine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyrroline - Pyrrolidine - Pyrrole - Dicarboximide - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactone - Carboxylic acid ester - Amino acid or derivatives - Haloacetylene or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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

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