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(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
InChIKey
InChIKey=YDWODLQEUPYKGJ-MUVFDYEFSA-N
Formula
C23H28O11
Mass
480.466
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
-
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
Triterpenoids Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Delta valerolactones Oxepanes Pyrans Oxanes Methyl esters Tetrahydrofurans Furans Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Enols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Polycyclic triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Furopyran - Delta_valerolactone - Cyclohexenone - Delta valerolactone - Beta-hydroxy acid - Oxepane - Oxane - Hydroxy acid - Pyran - Furan - Tetrahydrofuran - Methyl ester - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Lactone - Carboxylic acid ester - Ketone - 1,2-diol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Enol - Ether - Polyol - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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
CHEBI:65530 : organic heteropentacyclic compound - acetate ester - enone - methyl ester - delta-lactone - triol - cyclic ether - enol - quassinoid