Structure Information
Structure

Compound Identification

SMILES

CCCC1(CCC)C[C@H](C2=CC=CC(C)=C2)C2=C(O1)C=C(OS(=O)(=O)C(F)(F)F)C=C2

InChIKey

InChIKey=XKJGSUXNISWAHG-HXUWFJFHSA-N

Formula

C23H27F3O4S

Mass

456.52

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Chromane - Benzopyran - 1-benzopyran - Trifluoromethanesulfonate - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Ether - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organofluoride - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.

External Descriptors

Not available

Previous Back Next