Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)OCCN1CCCC1=O
InChIKey
InChIKey=CXAXSMHALAZUNI-UHFFFAOYSA-N
Formula
C16H19NO4
Mass
289.331
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 Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Fatty acid esters N-alkylpyrrolidines Pyrrolidine-2-ones Enoate esters Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Fatty acyl - N-alkylpyrrolidine - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - 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