Compound Identification
SMILES
CCOC1=CC=CC=C1C=CC(=O)N1CCC2(CCN(C2)C(=O)CN2C=NN=N2)CC1
InChIKey
InChIKey=LFPLLIAYAIDKFS-UHFFFAOYSA-N
Formula
C22H28N6O3
Mass
424.505
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
Azaspirodecane derivatives N-acylpiperidines Styrenes Phenoxy compounds Phenol ethers N-acylpyrrolidines Alkyl aryl ethers Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Azaspirodecane - N-acyl-piperidine - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyrrolidine - Azole - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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