Compound Identification
SMILES
CC=C(C)C(=O)OC1C2OCC3(C)C2C(C)(C(CC3OC(C)=O)OC(C)=O)C2CC(=O)OC3CC(C(C)=C3C12C)c1ccoc1
InChIKey
InChIKey=CSXRQWINVNDPIA-UHFFFAOYSA-N
Formula
C35H44O10
Mass
624.727
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Triterpenoids
- Level 5 Limonoids
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Subclass
Triterpenoids
-
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 Oxepanes Fatty acid esters Tetrahydrofurans Heteroaromatic compounds Furans Enoate esters Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Tetracarboxylic acid or derivatives - Caprolactone - Fatty acid ester - Oxepane - Fatty acyl - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic 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