Compound Identification
SMILES
CCOC(=O)\C=C(/C)C1=CC(OCC2=C(OC(=N2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=WRVZRIMCXXCHHV-KNTRCKAVSA-N
Formula
C29H24F3NO4
Mass
507.509
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 esters Phenyl-1,3-oxazoles Trifluoromethylbenzenes Phenylpropenes 2,4,5-trisubstituted oxazoles Styrenes Phenol ethers Phenoxy compounds Fatty acid esters Alkyl aryl ethers Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenyl-1,3-oxazole - Trifluoromethylbenzene - Phenylpropene - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic 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