Compound Identification
SMILES
COC1C(CO)OC(C(O)C1O)N1C=NC(CCN(C)C(=O)C=CC2=CC=CC=C2)=C1
InChIKey
InChIKey=OTKPKDPQBQLGLD-UHFFFAOYSA-N
Formula
C22H29N3O6
Mass
431.489
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Glycosylamines Styrenes Monosaccharides N-substituted imidazoles Oxanes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organonitrogen compounds Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Glycosyl compound - N-glycosyl compound - Styrene - Monocyclic benzene moiety - Monosaccharide - Benzenoid - N-substituted imidazole - Oxane - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available