Compound Identification
SMILES
COC1=C(OC(=O)C2=CC(Br)=CC=C2)C=CC(C=NNC(=O)C(=O)NC2=C(C#N)C3=C(CCCC3)S2)=C1
InChIKey
InChIKey=CSIIKVFZKAQFBS-UHFFFAOYSA-N
Formula
C26H21BrN4O5S
Mass
581.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Depsides and depsidones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Alpha amino acid amides Benzoic acid esters 3-halobenzoic acids and derivatives Phenol esters Benzoyl derivatives Anisoles Semioxamazones Methoxybenzenes N-arylamides Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Carboxylic acid esters Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Depside backbone - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzoate ester - Phenol ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Semioxamazone - Methoxybenzene - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
Not available