Compound Identification
SMILES
CCOC(=O)COC1=C(C=C(C#N)C(=O)CC2=C(C(=O)OCC)C(C)=C(S2)C(=O)OCC)C2=CC=CC=C2C=C1
InChIKey
InChIKey=UFBSIMUTPRZLFJ-UHFFFAOYSA-N
Formula
C30H29NO8S
Mass
563.62
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
Phenoxyacetic acid derivatives Naphthalenes Thiophene carboxylic acids and derivatives Phenol ethers Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxyacetate - Naphthalene - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic 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