Compound Identification
SMILES
COC(=O)C1(O)OCC23C4C(OCC4(C(O)CC2OC(=O)C(C)=CC)C(=O)OC)C(O)C(C)(C13)C12OC1(C)C1CC2OC2OC=CC12O
InChIKey
InChIKey=GLAJZJRWMNNYEH-UHFFFAOYSA-N
Formula
C33H42O15
Mass
678.684
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 Beta hydroxy acids and derivatives Oxepanes Fatty acid esters Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Dihydrofurans Methyl esters Enoate esters Furans Secondary alcohols Cyclic alcohols and derivatives Hemiacetals Acetals Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Furopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Oxepane - Hydroxy acid - Fatty acyl - Oxane - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Tetrahydrofuran - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Oxirane - Carboxylic acid derivative - Dialkyl ether - Polyol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Organic oxide - 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