Compound Identification
SMILES
CC(C)C1=CC2=C(C=C3SCCCS3)C=C(\C=C\C3=CC(\C=[N+](/[O-])C(C)(C)C)=C4C=C(C=CC(C)=C34)C(C)C)C2=C(C)C=C1
InChIKey
InChIKey=VGBSVBFCDOULAH-JXKVOSBVSA-N
Formula
C40H47NOS2
Mass
621.94
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
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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 Dithianes Shiff bases Nitrones Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Azulene - 1,3-dithiane - Ketene acetal or derivatives - Nitrone - Shiff base - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - 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