Compound Identification
SMILES
COC(=O)C1=CC(OCC2CN(CCO2)C(=O)C=CC2=CC(OC(F)(F)F)=CC=C2)=CN=C1
InChIKey
InChIKey=YBKFSDIBWLYKCD-UHFFFAOYSA-N
Formula
C22H21F3N2O6
Mass
466.413
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
-
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
Pyridinecarboxylic acids Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Morpholines Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Trihalomethanes Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Styrene - Alkyl aryl ether - Morpholine - Oxazinane - Pyridine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Trihalomethane - Dialkyl ether - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Alkyl halide - Halomethane - Hydrocarbon derivative - 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