Compound Identification
SMILES
O[C@@H](C[C@@H]1CC=CC(=O)O1)CC(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=BAJICORABIZDNM-CVEARBPZSA-N
Formula
C17H18O4
Mass
286.327
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
Fatty alcohols Styrenes b'-hydroxy-alpha,beta-unsaturated ketones Dihydropyranones Beta-hydroxy ketones Enones Enoate esters Acryloyl compounds Secondary alcohols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Fatty alcohol - Styrene - Dihydropyranone - B'-hydroxy-alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Beta-hydroxy ketone - Fatty acyl - Benzenoid - Pyran - Acryloyl-group - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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