Compound Identification
SMILES
COC1=C(\C=C\C(=O)N[C@H](CNC(C)=O)CN2CCC(CC2)OC2=CC=C(F)C=C2)C=C(C=C1)C#N
InChIKey
InChIKey=RBRKQICEMNWBCZ-YTARHJBPSA-N
Formula
C27H31FN4O4
Mass
494.567
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 amides Styrenes Phenoxy compounds Methoxybenzenes Anisoles Benzonitriles Alkyl aryl ethers Fluorobenzenes Piperidines Aryl fluorides Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzonitrile - Styrene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Acetamide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Cyanide - Organohalogen compound - Organic oxide - 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