Compound Identification
SMILES
[H]\C(C(=O)O[C@@]1([H])C(=O)O[C@]2([H])C[C@]3([H])[C@]([H])(C)C=C(O[C@@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O)[C@@]4([H])O)C(=O)[C@]3(C)[C@]3([H])[C@@]([H])(O)[C@]([H])(O)[C@]4(OC[C@@]23[C@@]14[H])C(=O)OC)=C(\C)C(C)C
InChIKey
InChIKey=YSFALLIAQRJCQF-OQLLNHDXSA-N
Formula
C34H46O16
Mass
710.726
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 Fatty acyl glycosides of mono- and disaccharides Naphthopyrans Hexoses O-glycosyl compounds Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Delta valerolactones Fatty acid esters Oxepanes Pyrans Oxanes Methyl esters Furans Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Acetals Dialkyl ethers Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Beta-hydroxy acid - Oxepane - Fatty acid ester - Cyclohexenone - Delta valerolactone - Fatty acyl - Oxane - Hydroxy acid - Monosaccharide - Pyran - Furan - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Ketone - Polyol - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Carbonyl group - 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