Compound Identification
SMILES
COC(=O)C[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](O)[C@]67C[C@]26[C@@H](OC(C)=O)C(=O)O[C@H]7C2=COC=C2)[C@]4(O5)[C@]13C
InChIKey
InChIKey=XDCGIERGEWDMKB-LALYPXKVSA-N
Formula
C37H44O17
Mass
760.742
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
Prostaglandins and related compounds Pentacarboxylic acids and derivatives Naphthopyrans Naphthalenes Carboxylic acid orthoesters Delta valerolactones Ortho esters Oxepanes Oxanes 1,3-dioxanes Pyrans Tertiary alcohols Methyl esters Heteroaromatic compounds Furans 1,3-dioxolanes Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Polyols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Pentacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Caprolactone - Carboxylic acid orthoester - Delta_valerolactone - Ortho ester - Oxepane - Delta valerolactone - Fatty acyl - Meta-dioxane - Oxane - Pyran - Furan - Heteroaromatic compound - Cyclic alcohol - Methyl ester - Meta-dioxolane - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Orthocarboxylic acid derivative - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - 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