Compound Identification
SMILES
CSC1=NN2C(=N1)N=C(C)C=C2OCC1CN(CCO1)C(=O)C=CC1=CC(OC(F)(F)F)=CC=C1
InChIKey
InChIKey=NEJHFAQTMMPVIP-UHFFFAOYSA-N
Formula
C22H22F3N5O4S
Mass
509.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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
Triazolopyrimidines Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Morpholines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trihalomethanes Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Triazolopyrimidine - Phenoxy compound - Aryl thioether - Styrene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxazinane - Morpholine - Triazole - Azole - 1,2,4-triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Trihalomethane - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Halomethane - 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