Compound Identification
SMILES
CC(C)C1=CC2=C(C)C=C(C(=O)OC3=CC(=C(O)C=C3C(C)(C)C)C(C)(C)C)C2=C(C)C=C1
InChIKey
InChIKey=ICCQKZQVEZUWQW-UHFFFAOYSA-N
Formula
C30H38O3
Mass
446.631
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
Phenol esters Azulenes Phenylpropanes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Azulene - Phenol ester - Phenylpropane - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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