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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
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
Phenol ethers Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Substituted pyrroles Thiophenes Heteroaromatic compounds Ketimines 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Secondary carboxylic acid amides Organic metalloid salts Dialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
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