Compound Identification
SMILES
CC1COC2=C1C=C1C(C)=CC(CC3=CC(O)=C(O)C(O)=C3)=C1C(C)=C2
InChIKey
InChIKey=MGCBYGSAWIPHGZ-UHFFFAOYSA-N
Formula
C22H22O4
Mass
350.414
Taxonomic Classification
Taxonomy Tree
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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
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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 Pyrogallols and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Polyols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Azulene - Benzenetriol - Pyrogallol derivative - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Polyol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen 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