Compound Identification
SMILES
O[C@H](COC1=C(CCCC2=CC=C(F)C=C2)C=C(Cl)C=C1C1CCCC1)C[C@@H](O)CC(O)=O
InChIKey
InChIKey=UWYJMLRTBVTPEM-PKTZIBPZSA-N
Formula
C26H32ClFO5
Mass
478.99
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
Medium-chain hydroxy acids and derivatives Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Beta hydroxy acids and derivatives Hydroxy fatty acids Chlorobenzenes Halogenated fatty acids Fluorobenzenes Aryl chlorides Aryl fluorides Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organofluorides Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Medium-chain hydroxy acid - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Halogenated fatty acid - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Chlorobenzene - Beta-hydroxy acid - Monocyclic benzene moiety - Aryl halide - Benzenoid - Fatty acid - Fatty acyl - Aryl fluoride - Hydroxy acid - Aryl chloride - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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