Compound Identification
SMILES
CC(C)C1=CC2=C(C)C=C(SC3=CC=CC=C3)C2=C(C)C=C1
InChIKey
InChIKey=GYUCINXWOCHGRT-UHFFFAOYSA-N
Formula
C21H22S
Mass
306.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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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
Diarylthioethers Azulenes Thiophenol ethers Benzene and substituted derivatives Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Diarylthioether - Azulene - Aryl thioether - Thiophenol ether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic 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