Compound Identification
SMILES
CCO[C@@H](CC1=CC=C(OCC2=C(C)C=C(S2)C2=CC=C(C=C2)C2=CC(COC)=NO2)C=C1)C(O)=O
InChIKey
InChIKey=MECJFXBATDEIFB-VWLOTQADSA-N
Formula
C28H29NO6S
Mass
507.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Isoxazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available