Compound Identification
SMILES
CCC(C)C(=O)O[C@@H]1C[C@]2(C)[C@@H](OC(=O)CC22OC3(C)OC11[C@]4(C)[C@@H](CC(=O)OC)[C@@]5(C)C[C@]4(O)[C@](O)([C@H]5OC(=O)[C@]4(C)O[C@H]4C)[C@@H](OC(=O)C(C)C)C21O3)C1=COC=C1
InChIKey
InChIKey=BUVRFGBECZFCRL-QKTIAOELSA-N
Formula
C43H56O17
Mass
844.904
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
Prostaglandins and related compounds Pentacarboxylic acids and derivatives Naphthopyrans Naphthalenes Carboxylic acid orthoesters Delta valerolactones Fatty acid esters Ortho esters 1,3-dioxanes Pyrans Oxirane carboxylic acids Oxanes Heteroaromatic compounds Furans 1,3-dioxolanes Tertiary alcohols Methyl esters 1,2-diols Cyclic alcohols and derivatives Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Pentacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Carboxylic acid orthoester - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Ortho ester - Meta-dioxane - Fatty acyl - Pyran - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Oxane - Heteroaromatic compound - Meta-dioxolane - Cyclic alcohol - Methyl ester - Tertiary alcohol - Furan - Orthocarboxylic acid derivative - Lactone - 1,2-diol - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxirane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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