Compound Identification
SMILES
CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(CC(=O)C3C12C)C1=COC=C1
InChIKey
InChIKey=YLKHFXUUZIHXPY-UHFFFAOYSA-N
Formula
C28H36O5
Mass
452.591
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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 Androgens and derivatives 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - 15-oxosteroid - Delta-1-steroid - Steroid - Cyclohexenone - Furan - Heteroaromatic compound - Ketone - Cyclic ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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