Compound Identification
SMILES
COC1=CC=CC=C1C(=C)C(=O)N1CC2[C@](C1)([C@@H]1CC[C@]2(C2=CC=CC=C12)C1=C(Cl)C=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=PPYLVEIUMJIWLI-GIMCXEQMSA-N
Formula
C31H27Cl2NO4
Mass
548.46
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 Tetralins Phenylacetamides Isoindolines Anisoles Dichlorobenzenes Methoxybenzenes N-acylpyrrolidines Styrenes Phenoxy compounds Pyrrolidine carboxylic acids Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Phenylacetamide - Tetralin - Isoindoline - Isoindole or derivatives - Anisole - Phenoxy compound - 1,3-dichlorobenzene - N-acylpyrrolidine - Methoxybenzene - Phenol ether - Styrene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organic oxide - Hydrocarbon derivative - 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