Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GAQREPONFMPPGJ-GVNVGRIYSA-N

Formula

C46H56BF2N5O6S

Mass

855.85

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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

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