Compound Identification
SMILES
COC(=O)C(=C)C1=CC[C@H](C)[C@H]2CC3(SCCS3)C(C)=C2C1=O
InChIKey
InChIKey=YPJGKQJVZQDFKT-IINYFYTJSA-N
Formula
C18H22O3S2
Mass
350.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Dithioketals Methyl esters Enoate esters 1,3-dithiolanes Ketones Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaiane sesquiterpenoid - Dithioketal - Thioacetal - Dithiolane - 1,3-dithiolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Dialkylthioether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic 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