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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
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Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
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Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
Styrenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Substituted pyrroles N-acyl amines Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Ketimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Dialkylamines Azacyclic compounds Organic oxides Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives
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