Structure Information
Structure

Compound Identification

SMILES

CCCCC1(C)C2=C(C=C(Br)C=C2)C2=C1C1=C(OC(C=C1)(C1=CC=C(F)C=C1)C1=CC=C(C=C1)N1CCOCC1)C1=C2C=CC(=C1)C(F)(F)F

InChIKey

InChIKey=LZIFMDGKLNBRFA-UHFFFAOYSA-N

Formula

C42H36BrF4NO2

Mass

742.653

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Flav-3-enes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flav-3-ene - Naphthopyran - Diphenylmethane - Fluorene - Phenylmorpholine - Benzopyran - Naphthalene - 1-benzopyran - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Morpholine - Oxazinane - Tertiary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.

External Descriptors

Not available

Previous Back Next