Compound Identification
SMILES
COC1=C(\C=C\C(=O)N2[C@@H]3C[C@H]4CC[C@]3(CS2(=O)=O)C4(C)C)C=C(F)C=C1
InChIKey
InChIKey=ZKDODGGGONILMC-JTAAZEBYSA-N
Formula
C20H24FNO4S
Mass
393.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
-
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
Aromatic monoterpenoids Bicyclic monoterpenoids Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma sultams Fluorobenzenes Aryl fluorides Organosulfonic acids and derivatives Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Monoterpenoid - Aromatic monoterpenoid - Bornane monoterpenoid - Norbornane monoterpenoid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Gamma-sultam - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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