Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=CC=CC=C2OCC2=CC=C(C=C2)C(O)=O)C#N)S1
InChIKey
InChIKey=IEURMFISCUZUCT-UHFFFAOYSA-N
Formula
C30H27NO8S
Mass
561.61
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
Benzoic acids Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Heteroaromatic compounds Carboxylic acid esters Ketones Carboxylic acids Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Phenol ether - Thiophene carboxylic acid or derivatives - Benzoyl - Phenoxy compound - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Thiophene - Enone - Heteroaromatic compound - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Ether - Carbonitrile - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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