Compound Identification
SMILES
COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChIKey
InChIKey=IPVONKABOQLBGH-WOELHRESSA-N
Formula
C29H40O16
Mass
644.623
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
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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 Fatty acyl glycosides of mono- and disaccharides Naphthopyrans Hexoses O-glycosyl compounds Naphthalenes Tricarboxylic acids and derivatives Furopyrans Oxepanes Delta valerolactones Beta hydroxy acids and derivatives Pyrans Oxanes Tetrahydrofurans Methyl esters Furans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Naphthopyran - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Naphthalene - Tricarboxylic acid or derivatives - Furopyran - Oxepane - Delta_valerolactone - Delta valerolactone - Beta-hydroxy acid - Fatty acyl - Pyran - Oxane - Monosaccharide - Hydroxy acid - Methyl ester - Tetrahydrofuran - Furan - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - 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