Compound Identification
SMILES
CN(CCOC1=C(\C=C\C(O)=O)C=CC(CN2C=CC=N2)=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=BAQYMRVJACKALV-ZHACJKMWSA-N
Formula
C23H23N3O4
Mass
405.454
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
- Level 6 Coumaric acids
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Level 5
Coumaric acids and derivatives
-
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
Coumaric acids and derivatives
Direct Parent
Coumaric acids
Alternative Parents
Cinnamic acids Benzamides Styrenes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available