Compound Identification
SMILES
CCOC(=O)[C@]12OC[C@@]34[C@H]1CC(=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=CMVMKMSNNMBUMZ-UTQVZMMYSA-N
Formula
C22H28O9
Mass
436.457
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 Furopyrans Oxepanes Delta valerolactones Cyclohexenones Beta hydroxy acids and derivatives Pyrans Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Furans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters 1,2-diols Oxacyclic compounds Enols Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Polycyclic triterpenoid - Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Cyclohexenone - Oxepane - Delta_valerolactone - Delta valerolactone - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Dicarboxylic acid or derivatives - Tetrahydrofuran - Furan - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - 1,2-diol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Enol - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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