Compound Identification
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)(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=KCVFVYXSNLKEHU-UIJGDLPGSA-N
Formula
C28H36O12
Mass
564.584
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 Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Furopyrans Fatty acid esters Delta valerolactones Beta hydroxy acids and derivatives Oxepanes Cyclohexenones Pyrans Oxanes Enoate esters Methyl esters Tertiary alcohols Furans Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Enols Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Delta valerolactone - Cyclohexenone - Fatty acid ester - Delta_valerolactone - Oxepane - Hydroxy acid - Fatty acyl - Oxane - Pyran - Tetrahydrofuran - Tertiary alcohol - Methyl ester - Cyclic alcohol - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Lactone - Secondary alcohol - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Dialkyl ether - Enol - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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