Compound Identification
SMILES
CC(C)C1=CC2=C(C#N)C(N=CN(C)C)=C(C#N)C2=C(CN2CCOCC2)C=C1
InChIKey
InChIKey=BIGNTNZLUYQSKT-UHFFFAOYSA-N
Formula
C23H27N5O
Mass
389.503
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Guaianes
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Guaianes
Alternative Parents
Azulenes Aralkylamines Morpholines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Formamidines Dialkyl ethers Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Azulene - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid amidine - Dialkyl ether - Ether - Formamidine - Carbonitrile - Nitrile - Amidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.
External Descriptors
Not available