Compound Identification
SMILES
COC1=C(Br)C=C(Br)C=C1C=CC(=O)NC1=NC2=C(S1)C=C(NC(C)=O)C=C2
InChIKey
InChIKey=AXAMGMMWCKOOMN-UHFFFAOYSA-N
Formula
C19H15Br2N3O3S
Mass
525.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid amides N-acetylarylamines Benzothiazoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - 1,3-benzothiazole - N-acetylarylamine - Phenol ether - Styrene - N-arylamide - Methoxybenzene - Phenoxy compound - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Acetamide - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available