Structure Information
Structure

Compound Identification

SMILES

CC1[C@@H]2C3=CC=CC=C3O[C@@H](C3=CC=C(Cl)C=C3)[C@@]2(C(=N)C(C#N)=C1C1=CC=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=HBIFHUHZQBEXOI-VTGSTZGXSA-N

Formula

C27H19Cl2N3O3

Mass

504.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

4-prenylated flavans

Alternative Parents

3-prenylated flavans 1-benzopyrans Alkyl aryl ethers Chlorobenzenes Aryl chlorides C-nitro compounds Ketimines Nitriles Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organochlorides Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-prenylated flavan - 3-prenylated flavan - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Ketimine - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Cyanide - Imine - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-prenylated flavans. These are flavans that features a C5-isoprenoid substituent at the 4-position.

External Descriptors

Not available

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