Compound Identification
SMILES
COC1=CC=CC=C1\C=C\C(=O)N1C[C@@H]2[C@](C1)([C@H]1CC[C@@]2(C2=C1SC=C2)C1=CC=C(C=C1)C(F)(F)F)C(O)=O
InChIKey
InChIKey=ALAZIKRAOZNYOV-NTVQBGTLSA-N
Formula
C30H26F3NO4S
Mass
553.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
-
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
Trifluoromethylbenzenes Isoindolines Styrenes Pyrrolidine carboxylic acids Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Trifluoromethylbenzene - Isoindole or derivatives - Isoindoline - Phenoxy compound - Anisole - N-acylpyrrolidine - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - 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