Compound Identification
SMILES
COC(=O)[C@H]1[C@H]2C=C[C@@H]3[C@@]22C(C(C[C@]13C)OC(=S)OC1=CC=CC=C1)C2(C)C
InChIKey
InChIKey=HMHBVNXBTYRFBE-AUGAXGEUSA-N
Formula
C23H26O4S
Mass
398.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Aromadendrane sesquiterpenoids
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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
Not available
Direct Parent
Aromadendrane sesquiterpenoids
Alternative Parents
Phenoxy compounds Thiocarbonic acid diesters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aromadendrane sesquiterpenoid - Phenoxy compound - Monocyclic benzene moiety - Benzenoid - Thiocarbonic acid diester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as aromadendrane sesquiterpenoids. These are sesquiterpenoids with a structure based on an aromadendrane (a cyclopropa[e]azulene derivative) skeleton. Some aromadendrane sesquiterpenoids are found in essential oils. Certain aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis were found to possess antifungal activities.
External Descriptors
Not available