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)[C@@]21[C@H]([C@H]2N([C@H]1C1=CC=CC=C1OCCO)[C@@H]([C@@H](OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1

InChIKey

InChIKey=POSNBTNDSCQQQR-CLHIIVQDSA-N

Formula

C63H54N4O13

Mass

1075.14

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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 - Indolecarboxylic acid derivative - Indolecarboxylic acid - Phenylmorpholine - 2-phenylpyrrolidine - Tetrahydroisoquinoline - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Indole or derivatives - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Phenol ether - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Morpholine - Oxazinane - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carbamic acid ester - Pyrrolidine - Dicarboximide - Pyrrole - Organic nitro compound - C-nitro compound - Carboxamide group - Lactone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary 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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