Compound Identification
SMILES
C[C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C(OC(=O)CC2=CCCC2)[C@@H]14
InChIKey
InChIKey=XSRNEJBEOCYPKB-SUTSTRPNSA-N
Formula
C27H34O9
Mass
502.56
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 Oxepanes Cyclohexenones Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Hemiacetals Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Cyclohexenone - Oxepane - Dicarboxylic acid or derivatives - Oxane - Pyran - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Alcohol - 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
Not available