Compound Identification
SMILES
[Na+].[Fe++].[CH]1[CH][CH][CH][CH]1.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=PMVWIZXSENBVSY-DKOYVZSOSA-M
Formula
C25H22FeNNaO5S
Mass
527.35
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
Alpha amino acids and derivatives Thiazolecarboxylic acids and derivatives Phenoxy compounds Penems Anisoles Methoxybenzenes Alkyl aryl ethers Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Thioenol ethers Secondary alcohols Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Organic transition metal salts Carboxylic acids Cycloalkenes Monocarboxylic acids and derivatives Unsaturated aliphatic hydrocarbons Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic sodium salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Not available
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 - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Thioenolether - Organic transition metal salt - Organic alkali metal salt - Hemithioaminal - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Cyclic olefin - Monocarboxylic acid or derivatives - Cycloalkene - Ether - Organic salt - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Olefin - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organic sodium salt - Organic cation - Hydrocarbon - 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