Compound Identification
SMILES
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C1=CC=CC=C1)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=TUKVWIYSWDDKKX-QQHLYMAWSA-N
Formula
C28H30O11
Mass
542.537
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Benzoic acid esters Naphthalenes Tricarboxylic acids and derivatives Furopyrans Benzoyl derivatives Beta hydroxy acids and derivatives Cyclohexenones Delta valerolactones Oxepanes Pyrans Oxanes Methyl esters Furans Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Enols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Benzoate ester - Naphthalene - Benzoic acid or derivatives - Furopyran - Tricarboxylic acid or derivatives - Benzoyl - Beta-hydroxy acid - Delta valerolactone - Oxepane - Cyclohexenone - Delta_valerolactone - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Hydroxy acid - Tetrahydrofuran - Cyclic alcohol - Furan - Methyl ester - Secondary alcohol - Carboxylic acid ester - Cyclic ketone - 1,2-diol - Lactone - Ketone - Dialkyl ether - Enol - Ether - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Aromatic 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