Compound Identification
SMILES
COC1=CC=CC=C1\C=C\C(=O)N1C[C@@H]2[C@](C1)([C@H]1CC[C@]2(C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=WGYGRAUSRYUADS-FSYUWSIYSA-N
Formula
C32H28F3NO4
Mass
547.574
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Aryltetralin lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Aryltetralin lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aryltetralin lignans
Alternative Parents
Naphthalenecarboxylic acids Coumaric acids and derivatives Trifluoromethylbenzenes Tetralins Isoindolines Anisoles Styrenes Methoxybenzenes N-acylpyrrolidines Pyrrolidine carboxylic acids Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Trifluoromethylbenzene - Tetralin - Isoindoline - Isoindole or derivatives - Methoxybenzene - Anisole - Styrene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol ether - Phenoxy compound - N-acylpyrrolidine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Carbonyl group - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.
External Descriptors
Not available