Compound Identification
SMILES
OC(=O)\C=C\C1=CC=C(N\N=C2\C(=O)C3=C(C=C(NC(=O)NC4=CC5=C(C=C4)C(=O)\C(=N\NC4=CC=C(\C=C\C(O)=O)C=C4)C(=C5)S(O)(=O)=O)C=C3)C=C2S(O)(=O)=O)C=C1
InChIKey
InChIKey=NXERALCTVVLOPU-FWPNIJMCSA-N
Formula
C39H28N6O13S2
Mass
852.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Naphthalenes Styrenes Phenylhydrazines Aryl ketones Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Ureas Hydrazones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid - Naphthalene - Phenylhydrazine - Styrene - Aryl ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Urea - Ketone - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available