Compound Identification
SMILES
CC1=C2CC(=O)OC(C3=COC=C3)C2(C)CCC1C12COC(=O)CC1OC(C)(C)C2CC([O-])=O
InChIKey
InChIKey=NLNLACOJSWLNHE-UHFFFAOYSA-M
Formula
C26H31O8
Mass
471.527
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
Benzopyrans Tricarboxylic acids and derivatives Delta valerolactones Oxanes Tetrahydrofurans Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Deoxylimonoic acid skeleton - Benzopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Delta valerolactone - Oxane - Heteroaromatic compound - Tetrahydrofuran - Furan - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic anion - 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
META CYC (DEOXYLIMONATE) : a small molecule