Structure Information
Structure

Compound Identification

SMILES

CC1(C)C[C@@]2(C[C@@H](OC3=C2C=CC(O)=C3)C2=CC=CC=C2)[NH2+][C@@](Br)([NH2+]1)SCC=C

InChIKey

InChIKey=LBLNKOBDGQOXLL-YMPZKCBVSA-P

Formula

C23H29BrN2O2S

Mass

477.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Hydroxyflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxyflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxyflavonoid - Flavan - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Quaternary ammonium salt - Allyl sulfur compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Dialkylthioether - Ether - Oxacycle - Organosulfur compound - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.

External Descriptors

Not available

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