Compound Identification
SMILES
COC1=C(Cl)C=C(NC(C)=O)C(\C=C\C(=O)N2CCN(CC3=CC=C(F)C=C3)C[C@H]2CO)=C1
InChIKey
InChIKey=PEJYMIUOXJMYOR-FKIZTMCRSA-N
Formula
C24H27ClFN3O4
Mass
475.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
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
M-haloacetanilides N-acetylarylamines Methoxyanilines Anisoles Styrenes Benzylamines Phenylmethylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Fluorobenzenes N-alkylpiperazines Aryl chlorides Aryl fluorides Acetamides 1,3-aminoalcohols Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Organofluorides Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - M-haloacetanilide - Haloacetanilide - Acetanilide - N-acetylarylamine - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Styrene - N-arylamide - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Piperazine - 1,4-diazinane - Aryl fluoride - Aryl chloride - Acetamide - 1,3-aminoalcohol - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Primary alcohol - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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