Compound Identification
SMILES
COC1=CC(Br)=C2CC[N+](C)(C)C3CC4=C(OC1=C23)C(OCC1=CC=CC=C1)=C(OC)C=C4
InChIKey
InChIKey=PAISJDRYOKASLS-UHFFFAOYSA-N
Formula
C27H29BrNO4
Mass
511.435
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cularin alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cularin alkaloids and derivatives
Alternative Parents
Dibenzoxepines Diarylethers Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Aryl bromides Tetraalkylammonium salts Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cularin or derivatives - Dibenzoxepine - Diaryl ether - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Quaternary ammonium salt - Tetraalkylammonium salt - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cularin alkaloids and derivatives. These are derivatives of benzyl isoquinolines in which a phenolic oxygen is incorporated into a seven-membered ring.
External Descriptors
Not available