Compound Identification
SMILES
COC1=C(C=CC(=C1)C(=O)N1CCN(CC1(CC1=CC=CC=C1)C(O)=O)S(=O)(=O)CC1=CC=CC=C1)C(C)(C)C
InChIKey
InChIKey=NYVHKJOOXKJRTP-UHFFFAOYSA-N
Formula
C31H36N2O6S
Mass
564.7
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
Alpha amino acids and derivatives Amphetamines and derivatives Piperazine carboxylic acids Phenylpropanes Benzamides Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Organic sulfonamides Organosulfonamides Sulfonyls Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - Phenylpropane - Piperazine-2-carboxylic acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - 1,4-diazinane - Organic sulfonic acid amide - Piperazine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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