Compound Identification
SMILES
CCOC1=C(C=CC(=O)NC2=CC(C)=C(C=C2)N2C(=O)C3=C(C=C(Cl)C=C3)C2=O)C=C(Br)C=C1
InChIKey
InChIKey=LTXXKLCGKZOXEX-UHFFFAOYSA-N
Formula
C26H20BrClN2O4
Mass
539.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Phthalimides Anilides Diaminotoluenes Isoindoles Styrenes Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Bromobenzenes Aryl chlorides Aryl bromides N-substituted carboxylic acid imides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organobromides Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Anilide - Diaminotoluene - Phenoxy compound - Phenol ether - N-arylamide - Styrene - Alkyl aryl ether - Halobenzene - Bromobenzene - Toluene - Carboxylic acid imide, n-substituted - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl chloride - Carboxylic acid imide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organochloride - Organobromide - 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