Compound Identification
SMILES
COC1=C(C=CC(=C1)C1=C(N2[C@H](S1)[C@@H]([C@@H](C)O)C2=O)C(O)=O)[C]1[CH][CH][CH][CH]1
InChIKey
InChIKey=NERNQOKWPWXBGF-RSXSOOJNSA-N
Formula
C20H18NO5S
Mass
384.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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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
Alpha amino acids and derivatives Thiazolecarboxylic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Penems Alkyl aryl ethers Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Thioenol ethers Amino acids Tertiary amines Azetidines Secondary alcohols Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Penem - Phenol ether - Methoxybenzene - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Thioenolether - Carboxamide group - Amino acid - Lactam - Secondary alcohol - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hemithioaminal - Organic nitrogen compound - Carbonyl group - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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