Compound Identification
SMILES
C[C@H]1[C@@H](O)C2=C3[C@H](C[C@H]4OC(=O)[C@H](O)[C@@H]1[C@@]34CO)[C@@H]1OC(=O)C[C@]1(C)O2
InChIKey
InChIKey=JTCXAZKJTVFSAJ-LQUIAYQWSA-N
Formula
C18H22O8
Mass
366.366
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
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Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Quassinoids
Alternative Parents
Furopyrans Delta valerolactones Pyrans Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Furans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Quassinoid - Furopyran - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Oxane - Furan - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
External Descriptors
Not available