Compound Identification
SMILES
COC1=CC(\C=C(/C#N)C(N)=O)=CC(CSC2=CC=CC=C2C(O)=O)=C1O
InChIKey
InChIKey=HHSJLHLCRVVXSC-WUXMJOGZSA-N
Formula
C19H16N2O5S
Mass
384.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Cinnamic acid amides Methoxyphenols O-sulfanylbenzoic acids Benzoic acids Benzoyl derivatives Thiophenol ethers Anisoles Methoxybenzenes Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Vinylogous thioesters Primary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Nitriles Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Methoxyphenol - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Primary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available