Compound Identification
SMILES
COC(=O)[C@@]1(OC)OC[C@@]23[C@H]4[C@@H](OC[C@@]4([C@@H](C[C@@H]2OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)[C@@H](O)[C@](C)([C@H]13)[C@]12O[C@@]1(C)[C@H]1C[C@@H]2O[C@@H]2OCC[C@]12OC
InChIKey
InChIKey=IHWJGAJTMXYDAR-JHAHSMHZSA-N
Formula
C37H50O16
Mass
750.791
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
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Limonoids
Alternative Parents
Tetracarboxylic acids and derivatives Furopyrans Fatty acid esters Ketals Oxepanes Pyrans Oxanes Methyl esters Furans Tetrahydrofurans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Tetracarboxylic acid or derivatives - Furopyran - Fatty acid ester - Ketal - Oxepane - Oxane - Fatty acyl - Pyran - Cyclic alcohol - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Methyl ester - Secondary alcohol - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.
External Descriptors
Not available