Compound Identification
SMILES
COC1=CC=CC(\C=C\C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)=C1OC
InChIKey
InChIKey=WVJHZWSGUPUPNC-PYNKLBBOSA-N
Formula
C22H32NO4
Mass
374.5
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 esters Lupinine-type alkaloids Quinolizines Quinolizidines Dimethoxybenzenes Phenoxy compounds Styrenes Anisoles Fatty acid esters Alkyl aryl ethers Piperidines Tetraalkylammonium salts Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Lupinine - Cinnamic acid ester - Quinolizidine - Quinolizine - Dimethoxybenzene - O-dimethoxybenzene - Alkaloid or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Fatty acid ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic cation - 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