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)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1

InChIKey

InChIKey=NDUQACPYZPAOPK-JTDOKWAISA-N

Formula

C64H55N5O13

Mass

1102.166

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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 - Indolecarboxylic acid derivative - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Benzodioxole - Indole or derivatives - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Nitroaromatic compound - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Benzenoid - Piperazine - N-alkylpyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Carbamic acid ester - Pyrrolidine - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Lactone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Acetal - Oxacycle - Carboxylic acid derivative - Organic oxoazanium - Ether - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Primary alcohol - Amine - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - 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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