Compound Identification
SMILES
CN(C)[C@@]12CC(=O)[C@]3(CCCC[C@@H]13)C(=C2C#CC#CC1=C(C2=CC=CC=C2)[C@]23CCCC[C@H]2[C@]1(CC3=O)N(C)C)C1=CC=CC=C1
InChIKey
InChIKey=XZXUGNWQLUTGAA-NJPLLRKJSA-N
Formula
C42H44N2O2
Mass
608.826
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available