Compound Identification
SMILES
CC(C)[C+]1C=CC(C)=C2C(=CC3=[NH+]C(=CC4=CC(C)=C5C=C(C=CC(C)=C45)C(C)C)C=C3)C=C(C)C2=C1
InChIKey
InChIKey=PXWIWGIAXVYSLQ-UHFFFAOYSA-O
Formula
C36H39N
Mass
485.714
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Guaianes
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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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Azulene - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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