Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CNCCCCCCCCNC(=O)COC1=CC=C(\C=C\C2=N\C(=C/C3=CC=C(N3B(F)F)C3=CC=CS3)\C=C2)C=C1)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=HLLSJRDQEAYEPI-MVKSJWOOSA-N

Formula

C39H43BF2N4O5S

Mass

728.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Styrene - Phenoxy compound - Catechol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrole - Ketimine - Secondary alcohol - Carboxamide group - Amino acid or derivatives - 1,2-aminoalcohol - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic metalloid salt - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Amine - Organic oxygen compound - Alcohol - Organic oxide - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

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