Compound Identification
SMILES
CCCN1C(C)=CC(C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1C
InChIKey
InChIKey=DBRVZTGXFATXIN-VQHVLOKHSA-N
Formula
C21H25NO5
Mass
371.433
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
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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 Methoxyphenols Anisoles Aryl alkyl ketones Styrenes Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Alpha-acyloxy ketones Alkyl aryl ethers Substituted pyrroles Enoate esters Heteroaromatic compounds Vinylogous amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Alpha-acyloxy ketone - Monocyclic benzene moiety - Fatty acyl - Substituted pyrrole - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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