Compound Identification
SMILES
COC(=O)CC1C2(C)C(OC3CC(C(C)=C23)c2ccoc2)C(OC(C)=O)C2C(C)(C=O)C(O)CC(OC(=O)C(C)=C)C12C
InChIKey
InChIKey=GIEKJOCOTTXNQW-UHFFFAOYSA-N
Formula
C33H42O10
Mass
598.689
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
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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
Naphthofurans Tricarboxylic acids and derivatives Tetrahydrofurans Methyl esters Heteroaromatic compounds Furans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthofuran - Tricarboxylic acid or derivatives - Cyclic alcohol - Furan - Tetrahydrofuran - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Alcohol - 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