Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=CC(OC)=C(OC)C(OC)=C2)C#N)S1
InChIKey
InChIKey=LAOOWEQFRLZCQG-UHFFFAOYSA-N
Formula
C25H27NO8S
Mass
501.55
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
Thiophene carboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Enone - Thiophene - Acryloyl-group - Heteroaromatic compound - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Cyanide - Organonitrogen 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