Compound Identification
SMILES
CC1=NOC(N2C(C(O)=O)=C(C3=CC4=C(OCO4)C=C3)C3=CC=CC=C3S2(=O)=O)=C1C
InChIKey
InChIKey=YZAGTCAJVKDRAW-UHFFFAOYSA-N
Formula
C21H16N2O7S
Mass
440.43
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 Benzothiazines Benzodioxoles 1,2-thiazines Organosulfonamides Benzenoids Heteroaromatic compounds Isoxazoles Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Acetals Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Alpha-amino acid or derivatives - Benzothiazine - Benzodioxole - Ortho-thiazine - Organosulfonic acid amide - Benzenoid - Isoxazole - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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