Compound Identification
SMILES
[O-]C(=O)C=CC([O-])=O.COC1=CC(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)=CC(OC)=C1OC
InChIKey
InChIKey=XSTJTOKYCAJVMJ-UHFFFAOYSA-L
Formula
C26H33N3O9
Mass
531.563
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Alpha amino acids and derivatives N-piperazineacetamides Styrenes Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers N-alkylpiperazines Unsaturated fatty acids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Trialkylamines Carboxylic acid salts Carboxylic acids Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Cinnamic acid or derivatives - N-piperazineacetamide - Alpha-amino acid or derivatives - Anisole - Phenoxy compound - Styrene - Methoxybenzene - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Dicarboxylic acid or derivatives - Fatty acid - Unsaturated fatty acid - Piperazine - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available