Compound Identification
SMILES
C[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]4[C@]33CO[C@]4([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O)C(O)=O
InChIKey
InChIKey=CXVWQUMYRFPSCJ-SJULGOEYSA-N
Formula
C31H40O16
Mass
668.645
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 Naphthopyranone glycosides Fatty acyl glycosides of mono- and disaccharides Hexoses O-glycosyl compounds Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Pyranones and derivatives Delta valerolactones Fatty acid esters Oxepanes Oxanes Tetrahydrofurans Enoate esters Furans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Acetals Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Naphthopyranone glycoside - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Naphthopyranone - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Fatty acid ester - Cyclohexenone - Beta-hydroxy acid - Pyranone - Delta valerolactone - Oxepane - Hydroxy acid - Fatty acyl - Monosaccharide - Pyran - Oxane - Furan - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Cyclic ketone - Lactone - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Polyol - Dialkyl ether - Ether - Acetal - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Organic oxide - Alcohol - Organic oxygen 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