Compound Identification
SMILES
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC5OC(CO)C(O)C(O)C5O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
InChIKey
InChIKey=WURBSTOWFYGBJO-JTVQRTMTSA-N
Formula
C27H38O11
Mass
538.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Quassinoids
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Subclass
Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Quassinoids
Alternative Parents
Triterpenoids Naphthopyrans Hexoses O-glycosyl compounds Naphthalenes Delta valerolactones Cyclohexenones Oxanes Pyrans Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Delta valerolactone - Delta_valerolactone - Cyclohexenone - Monosaccharide - Pyran - Oxane - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Polyol - Carboxylic acid derivative - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organooxygen compound - 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