Compound Identification
SMILES
CCCCNC(=S)[C@@H](CCC1=CC=C(C[C@@H](OCC)C(O)=O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=IBZOKVBZAUUBKQ-XZOQPEGZSA-N
Formula
C25H33NO3S
Mass
427.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Phenylpropanoic acids Benzene and substituted derivatives Thioamides Thiocarboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Thiocarbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Benzenoid - Thioamide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Thiocarbonyl group - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available