Compound Identification
SMILES
COC1=CC(\C=C\C([O-])=O)=C(C=C1)C1=CC2=C(C=C3CCNCCN23)C=C1
InChIKey
InChIKey=WBUUBYQOMFXTIR-QPJJXVBHSA-M
Formula
C22H21N2O3
Mass
361.422
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
-
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 acids Indoles Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Pyrroles Heteroaromatic compounds Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid - Indole or derivatives - Indole - Phenol ether - Phenoxy compound - Styrene - Anisole - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic 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