Structure Information
Structure

Compound Identification

SMILES

CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)CCC1=CC(CO[N+]([O-])=O)=CC=C1)C1=NC2=CC=CC=C2N1C

InChIKey

InChIKey=GDDMVVDGIOZKTG-UHFFFAOYSA-N

Formula

C42H39N5O4

Mass

677.805

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Biphenyl - Butyrophenone - Benzimidazole - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Alkyl nitrate - Imidazole - Organic nitrate - Azole - Organic nitro compound - Ketone - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

Previous Back Next