Compound Identification
SMILES
CC1(C)CC[C@@]2(C)C[C@@H]3CC[C@H](COC(=O)C4=CC=CC=C4)[C@@H]3[C@@H]12
InChIKey
InChIKey=ZPMAIJLNEVKKSI-TZDBLYRBSA-N
Formula
C22H30O2
Mass
326.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
-
Level 5
Triquinane sesquiterpenoids
- Level 6 Linear triquinanes
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Level 5
Triquinane sesquiterpenoids
-
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
Triquinane sesquiterpenoids - Linear triquinanes
Direct Parent
Capnellane and isocapnellane sesquiterpenoids
Alternative Parents
Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Capnellane sesquiterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as capnellane and isocapnellane sesquiterpenoids. These are sesquiterpenes with a structure characterized by the presence of a tricyclo[6.3.0.0^2,6]undecane ring system, which is also found in the hirsutane group. However, capnellanes carry two methyl groups at the 3-position.
External Descriptors
Not available