Compound Identification
SMILES
FC(F)OC1=C(C=CC(=O)NC2=NC3=C(S2)C=C(OC2=CC=CC=C2)C=C3)C=C(Br)C=C1
InChIKey
InChIKey=XPGASVYYGFDTKL-UHFFFAOYSA-N
Formula
C23H15BrF2N2O3S
Mass
517.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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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 Diarylethers Benzothiazoles Styrenes Phenoxy compounds Phenol ethers N-arylamides Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Diaryl ether - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Styrene - N-arylamide - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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