Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C#CC1=CC2=C(C=C1)N(C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)C21C(C2N(C1C1=CC=C(OCCO)C=C1)C(C(OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCC=C

InChIKey

InChIKey=UWRRLQGLIKCRNQ-UHFFFAOYSA-N

Formula

C55H46N4O11

Mass

938.99

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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 - Indolecarboxylic acid - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Indole or derivatives - Phenoxy compound - Phenol ether - Nitroaromatic compound - Anisole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Methoxybenzene - Aralkylamine - Alkyl aryl ether - N-alkylpyrrolidine - Benzenoid - Morpholine - Oxazinane - Monocyclic benzene moiety - Dicarboximide - Pyrrole - Pyrrolidine - Carbamic acid ester - Lactone - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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

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