Compound Identification
SMILES
COC(=O)[C@]12CO[C@@H]3[C@@H]1[C@]1(CO[C@H](O)[C@H]1[C@@](C)([C@@H]3O)[C@]13O[C@@]1(C)[C@H]1C[C@@H]3O[C@@H]3OC=C[C@]13O)[C@H](C[C@H]2OC(C)=O)OC(=O)C(\C)=C\C
InChIKey
InChIKey=ILMJTWSQVCYIKY-YAYGENDCSA-N
Formula
C33H42O14
Mass
662.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Tricarboxylic acids and derivatives Furopyrans Fatty acid esters Oxepanes Oxanes Pyrans Dihydrofurans Enoate esters Tetrahydrofurans Furans Tertiary alcohols Methyl esters Cyclic alcohols and derivatives Hemiacetals Secondary alcohols Acetals Dialkyl ethers Epoxides Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Furopyran - Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Methyl ester - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Dialkyl ether - Acetal - Carboxylic acid derivative - Ether - Oxirane - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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
CHEBI:38510 : methyl ester - azadirachtin