Structure Information
Structure

Compound Identification

SMILES

CCC1(CC)OC2=CC=CC=C2C(C1\C=C\C1CC(O)CC(=O)O1)C1=CC=C(F)C=C1

InChIKey

InChIKey=VGEDRMRTBWODTN-BUHFOSPRSA-N

Formula

C26H29FO4

Mass

424.512

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

1-benzopyrans Fluorobenzenes Delta valerolactones Alkyl aryl ethers Oxanes Aryl fluorides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Delta valerolactone - Fluorobenzene - Halobenzene - Delta_valerolactone - Benzenoid - Oxane - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Secondary alcohol - Carboxylic acid ester - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Alcohol - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - 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