Compound Identification
SMILES
COC(=O)C12OCC34C1C(OC(=O)C=C(CO)C(C)(C)OC(C)=O)C(=O)OC3CC1C(C)=C(O)C(=O)CC1(C)C4C(O)C2O
InChIKey
InChIKey=GORQRRUAMYWJQM-UHFFFAOYSA-N
Formula
C30H38O14
Mass
622.62
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 Tetracarboxylic acids and derivatives Naphthalenes Furopyrans Fatty acid esters Delta valerolactones Cyclohexenones Oxepanes Beta hydroxy acids and derivatives Pyrans Oxanes Furans Tetrahydrofurans Enoate esters Methyl esters Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Enols Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Furopyran - Beta-hydroxy acid - Delta valerolactone - Cyclohexenone - Fatty acid ester - Delta_valerolactone - Oxepane - Fatty acyl - Hydroxy acid - Oxane - Pyran - Cyclic alcohol - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Cyclic ketone - Secondary alcohol - Lactone - Carboxylic acid ester - Ketone - Polyol - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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