Structure Information
Structure

Compound Identification

SMILES

CCCCOC1=CC=C(C=C1)C1(OC2=C(C=C1)C1=C(C3=C(C(Br)=CC(=C3)C3=CC=C(O)C=C3)C1(C)C)C1=C2C=C(C=C1)C(F)(F)F)C1=CC=C(F)C=C1

InChIKey

InChIKey=BEBSBARMISDNJB-UHFFFAOYSA-N

Formula

C45H35BrF4O3

Mass

779.67

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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 - Benzopyran - Naphthalene - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Oxacycle - Ether - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organobromide - 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

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