Compound Identification
SMILES
C[C@@H]1[C@H]2CC3=C(C=C(O)C=C3)[C@]1(C)CCN2CC=C(C)C.OC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5CC=C
InChIKey
InChIKey=SRIMMBWWILHQEE-STKFYGIQSA-N
Formula
C38H48N2O5
Mass
612.811
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
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Class
6,7-benzomorphans
- Subclass 2,6-dimethyl-3-benzazocines
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Class
6,7-benzomorphans
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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
Phenanthrenes and derivatives 4-hydroxy-6,7-benzomorphans Benzazocines Isoquinolones and derivatives Tetralins Coumarans Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Piperidines Tertiary alcohols Trialkylamines Ketones Cyclic alcohols and derivatives 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2,6-dimethyl-3-benzazocine - 4-hydroxy-6,7-benzomorphan - Phenanthrene - Benzazocine - Isoquinolone - Tetralin - Coumaran - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Alkyl aryl ether - Benzenoid - Piperidine - Tertiary alcohol - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Ketone - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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