Compound Identification
SMILES
COC1C(O)C2C3(C)C(CC4OC(=O)CC(O)(C1(C)O)C24C)C(C)C=C(OC)C3=O
InChIKey
InChIKey=WTMHOKZZJFYIGE-UHFFFAOYSA-N
Formula
C22H32O8
Mass
424.49
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
Naphthopyrans Naphthalenes Cyclohexenones Delta valerolactones Pyrans Oxanes Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Cyclohexenone - Delta_valerolactone - Oxane - Pyran - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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