Compound Identification
SMILES
COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@]3(O)[C@](O)([C@H]2OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]24OC5(C)O[C@H]([C@H](OC(C)=O)[C@]67C[C@]26[C@@H](OC(C)=O)C(=O)O[C@H]7c2ccoc2)[C@]4(O5)[C@]13C
InChIKey
InChIKey=GKWHCQAFBYRUIH-VMPRYEIRSA-N
Formula
C41H48O20
Mass
860.815
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
Prostaglandins and related compounds Naphthopyrans Naphthalenes Oxepanes Ortho esters Carboxylic acid orthoesters Delta valerolactones Pyrans Oxanes 1,3-dioxanes Tertiary alcohols 1,3-dioxolanes Methyl esters Heteroaromatic compounds Furans 1,2-diols Cyclic alcohols and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Naphthopyran - Naphthalene - Caprolactone - Carboxylic acid orthoester - Delta valerolactone - Delta_valerolactone - Ortho ester - Oxepane - Meta-dioxane - Pyran - Fatty acyl - Oxane - Heteroaromatic compound - Meta-dioxolane - Furan - Tertiary alcohol - Methyl ester - Cyclic alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Orthocarboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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