Compound Identification
SMILES
CC1C2CC(=O)OC3C(OC(=O)C=C(C)C)C4C(C)=CC(=O)C(OC(C)=O)C4(C)C(C(=O)C1OC(C)=O)C23COC(C)=O
InChIKey
InChIKey=DWEYLBMYZYWWKZ-UHFFFAOYSA-N
Formula
C31H38O12
Mass
602.633
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Quassinoids
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Subclass
Terpene lactones
-
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
Pentacarboxylic acids and derivatives Naphthopyrans Naphthalenes Fatty acid esters Delta valerolactones Cyclohexenones Alpha-acyloxy ketones Pyrans Oxanes Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
C-20 quassinoid skeleton - Quassinoid - Pentacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Delta valerolactone - Fatty acid ester - Cyclohexenone - Delta_valerolactone - Alpha-acyloxy ketone - Fatty acyl - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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