Compound Identification
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3CC1C(C)=C(OC(=O)CC(C)C(F)(F)F)C(=O)C[C@]1(C)C4[C@@H](O)[C@H]2O
InChIKey
InChIKey=DRHBGHWWZZPDNF-XAPSSOANSA-N
Formula
C26H31F3O11
Mass
576.518
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 Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Delta valerolactones Fatty acid esters Oxepanes Pyrans Oxanes Methyl esters Tetrahydrofurans Furans Enol esters Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Furopyran - Delta_valerolactone - Fatty acid ester - Oxepane - Cyclohexenone - Delta valerolactone - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Fatty acyl - Cyclic alcohol - Enol ester - Furan - Methyl ester - Tetrahydrofuran - Secondary alcohol - Lactone - Cyclic ketone - Ketone - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl halide - 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