Compound Identification
SMILES
CC1=C2CC(=O)OC(C3=COC=C3)C2(C)CCC1C1(CO)C(CC(O)=O)OC(C)(C)C1CC(O)=O
InChIKey
InChIKey=BQKCYOXFBVKBDA-UHFFFAOYSA-N
Formula
C26H34O9
Mass
490.549
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Triterpenoids
- Level 5 Limonoids
-
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
Benzopyrans Tricarboxylic acids and derivatives Delta valerolactones Oxanes Tetrahydrofurans Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Deoxylimonoic acid skeleton - Limonoid skeleton - Benzopyran - Tricarboxylic acid or derivatives - Delta valerolactone - Delta_valerolactone - Oxane - Tetrahydrofuran - Heteroaromatic compound - Furan - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - 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