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Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C2C3CCC(C)(C2=O)C3(C)C)C=C1.OS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1.COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C

InChIKey

InChIKey=IGCZXBMWUOSPTO-UHFFFAOYSA-N

Formula

C51H54N2O7S

Mass

839.06

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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

Not available

Substituents

Retro-dihydrochalcone - Phenylbenzimidazole - Alkyl-phenylketone - 2-phenylimidazole - Butyrophenone - Aromatic monoterpenoid - Bornane monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Phenylpropane - 1-sulfo,2-unsubstituted aromatic compound - Benzimidazole - Phenylketone - Arylsulfonic acid or derivatives - Aryl ketone - Benzoyl - Anisole - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1,3-diketone - Toluene - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Sulfonyl - Imidazole - Heteroaromatic compound - Azole - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - 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

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