Compound Identification
SMILES
CC(C)C1=CC=CC=C1SC1=C(C=C(\C=C\C(=O)N2CCN(C(C2)C(=O)N(C)C)C(=O)C2=CC=NC=C2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=QUOIKPPBKHYUKB-ZRDIBKRKSA-N
Formula
C31H33N5O5S
Mass
587.7
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
Diarylthioethers Alpha amino acids and derivatives Pyridinecarboxylic acids and derivatives Cumenes Piperazine carboxamides Phenylpropanes Nitrobenzenes Thiophenol ethers Styrenes Nitroaromatic compounds Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Piperazine-2-carboxamide - Phenylpropane - Nitrobenzene - Cumene - Styrene - Aryl thioether - Thiophenol ether - Nitroaromatic compound - Benzenoid - Piperazine - Pyridine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - 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