Compound Identification
SMILES
CCOC1=CC=CC=C1C=CC(=O)N1CCC2(CCN(C2)C(=O)CSC2=NC=CC(=N2)C2=CC=CC=N2)CC1
InChIKey
InChIKey=ABYHYYZWKUPSMW-UHFFFAOYSA-N
Formula
C30H33N5O3S
Mass
543.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
-
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
Coumaric acids and derivatives
Alternative Parents
Azaspirodecane derivatives N-acylpiperidines Styrenes Phenoxy compounds Phenol ethers N-acylpyrrolidines Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Azaspirodecane - N-acyl-piperidine - Styrene - Phenoxy compound - Aryl thioether - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrimidine - Pyridine - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available