Compound Identification
SMILES
C[C@@H](OC(=O)\C=C\C1=CC2=C(OCCO2)C=C1)C(=O)N1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=QLSNPBWELATHSH-LHUXKHBRSA-N
Formula
C25H28N2O5
Mass
436.508
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
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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 esters Benzo-1,4-dioxanes Styrenes Phenylmethylamines Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpiperazines Fatty acid esters Para dioxins Enoate esters Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzo-1,4-dioxane - Benzodioxane - Benzylamine - Phenylmethylamine - Styrene - Alkyl aryl ether - Fatty acid ester - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Para-dioxin - Fatty acyl - Piperazine - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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