Compound Identification
SMILES
COC1=C(C=CC(C=CC(=O)OC2=CC=C(NC(C)=O)C=C2)=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=BQLNPVBRBGENOF-UHFFFAOYSA-N
Formula
C26H23NO6
Mass
445.471
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 O-methoxybenzoic acids and derivatives Acetanilides Benzoic acid esters Benzyloxycarbonyls Phenol esters N-acetylarylamines Styrenes Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Fatty acid esters Acetamides Enoate esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid ester - Coumaric acid or derivatives - O-methoxybenzoic acid or derivatives - Benzyloxycarbonyl - Phenol ester - Benzoate ester - Acetanilide - Anilide - Benzoic acid or derivatives - N-acetylarylamine - Phenol ether - Phenoxy compound - N-arylamide - Styrene - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Acetamide - Enoate ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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