Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@]12CC[C@@](C)(C3=CC=CC=C13)[C@]1(CN(C[C@@H]21)C(=O)\C=C\C1=CC=CC=C1OC)C(O)=O
InChIKey
InChIKey=QNJSKGZNPRXVEV-MGYWSSBXSA-N
Formula
C33H33NO5
Mass
523.629
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Aryltetralin lignans
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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 Tetralins Isoindolines Styrenes Pyrrolidine carboxylic acids Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers Tertiary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Tetralin - Isoindoline - Isoindole or derivatives - Phenol ether - N-acylpyrrolidine - Methoxybenzene - Anisole - Phenoxy compound - Styrene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen 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