Compound Identification
SMILES
COC1=C(OCC#N)C=CC(C=CC(=O)OCC(=O)C2=CC=CN2)=C1
InChIKey
InChIKey=ZHIRLCXPOLDRRB-UHFFFAOYSA-N
Formula
C18H16N2O5
Mass
340.335
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 Styrenes Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Substituted pyrroles Heteroaromatic compounds Enoate esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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