Compound Identification
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN1CC[C@@]2(C)C(C)[C@@H]1CC1=C2C=C(O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=WBKUGLSQIBUQEW-PHRYIXQVSA-N
Formula
C27H33NO3
Mass
419.565
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
6,7-benzomorphans
- Subclass 2,6-dimethyl-3-benzazocines
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Class
6,7-benzomorphans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-benzomorphans
Subclass
2,6-dimethyl-3-benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
2,6-dimethyl-3-benzazocines
Alternative Parents
4-hydroxy-6,7-benzomorphans Benzazocines Tetralins Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperidines Cyclopropanecarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,6-dimethyl-3-benzazocine - 4-hydroxy-6,7-benzomorphan - Benzazocine - Tetralin - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-positions.
External Descriptors
Not available