Compound Identification
SMILES
CCC(CC)(C1=CC(C)=C(CCC(O)=O)C=C1)C1=CC(C)=C(C=C1)C#CC1(O)CCCC1
InChIKey
InChIKey=NWDAVRAGSOHLDM-UHFFFAOYSA-N
Formula
C29H36O3
Mass
432.604
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Sesquiterpenoids
Alternative Parents
Diphenylmethanes Phenylpropanoic acids Phenylpropanes Toluenes Ynones Cyclopentanols Tertiary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Bisabolane sesquiterpenoid - Sesquiterpenoid - Diphenylmethane - 3-phenylpropanoic-acid - Phenylpropane - Toluene - Benzenoid - Ynone - Cyclopentanol - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available