Compound Identification
SMILES
CC[C@@](C)(OC(C)=O)C(=O)O[C@@H]1[C@H]2[C@@]3(C)OC[C@]22[C@@H](C[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@H]2[C@@H](O)[C@@H]3O)OC1=O
InChIKey
InChIKey=FXMIXHYJCNZLFE-UDLAVWPNSA-N
Formula
C27H36O11
Mass
536.574
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 Cyclohexenones Delta valerolactones Fatty acid esters Oxepanes Pyrans Oxanes Tetrahydrofurans Furans Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Cyclohexenone - Oxepane - Fatty acyl - Pyran - Oxane - Tetrahydrofuran - Cyclic alcohol - Furan - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Ether - Dialkyl ether - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - 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:8691 : organic heteropentacyclic compound - acetate ester - enone - bridged compound - delta-lactone - triol - cyclic ether - quassinoid