Compound Identification
SMILES
BrC1=CN2C(=O)C=C(COC(=O)C=CC3=CC4=C(OCO4)C=C3)N=C2C=C1
InChIKey
InChIKey=VGYVZUGRASLCHX-UHFFFAOYSA-N
Formula
C19H13BrN2O5
Mass
429.226
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 esters Pyridopyrimidines Benzodioxoles Styrenes Pyrimidones Fatty acid esters Pyridines and derivatives Aryl bromides Enoate esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Pyridopyrimidine - Benzodioxole - Styrene - Fatty acid ester - Pyrimidone - Aryl bromide - Aryl halide - Pyridine - Pyrimidine - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen 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