Compound Identification
SMILES
C[C@@]12CCC3[C@@]4(C)C=CC(=O)C(C)(C)C4C[C@@H](OC(=O)C(F)(F)F)[C@@]3(C)C1=CC[C@H]2C1=COC=C1
InChIKey
InChIKey=JJZYVYGJZKUBNZ-FLMALSAESA-N
Formula
C28H33F3O4
Mass
490.563
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
17-furanylsteroids and derivatives Steroid esters 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Heteroaromatic compounds Furans Alpha-halocarboxylic acid derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-1-steroid - Cyclohexenone - Heteroaromatic compound - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Furan - Cyclic ketone - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - 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