Compound Identification
SMILES
CCC(C)C(=O)O[C@@H]1[C@@]2(O)[C@@H](OC(=O)C(C)C)C(C)(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC(=O)O[C@H]5C5=COC=C5)[C@@]14O[C@@]23O
InChIKey
InChIKey=FGBXJGAAKNHCKE-NDIYKFPGSA-N
Formula
C36H50O12
Mass
674.784
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Steroid lactones 12-alpha-hydroxysteroids Naphthopyrans Tetracarboxylic acids and derivatives Naphthalenes Fatty acid esters Delta valerolactones Pyrans Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Methyl esters Heteroaromatic compounds Furans Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mexicanolide - Limonoid skeleton - Steroid lactone - 12-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Steroid - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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