Compound Identification
SMILES
COC(=O)C12OCC34C1C(OC(=O)C=C(C)C(C)C)C(=O)OC3CC1C(C)=C(OC)C(=O)CC1(C)C4C(O)C2O
InChIKey
InChIKey=WMIPTQPCFLUGBL-UHFFFAOYSA-N
Formula
C29H38O11
Mass
562.612
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
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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
Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Oxepanes Delta valerolactones Fatty acid esters Pyrans Oxanes Tetrahydrofurans Enoate esters Furans Methyl esters 1,2-diols Cyclic alcohols and derivatives Secondary alcohols Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Beta-hydroxy acid - Cyclohexenone - Fatty acid ester - Oxepane - Delta valerolactone - Pyran - Oxane - Hydroxy acid - Fatty acyl - Tetrahydrofuran - Cyclic alcohol - Furan - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Ketone - 1,2-diol - Cyclic ketone - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - 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