Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(=N)N1CCC(CC1)OC1=CC=C(C=C1)C(=O)NCCOC1=C(\C=C\C(N)=O)C=CC(=C1)C(N)=N
InChIKey
InChIKey=XRPGCBRQGDPZDY-GSHWVVEBSA-N
Formula
C28H33F3N6O6
Mass
606.603
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
Cinnamic acid amides Benzamides Styrenes Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Piperidines Alpha-halocarboxylic acids Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amidine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid amidine - Carboximidamide - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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