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](O)[C@]67C[C@]26[C@@H](OC(C)=O)C(=O)O[C@H]7c2ccoc2)[C@]4(O5)[C@]13C
InChIKey
InChIKey=QTCZMZUMCQYMIT-GTDPUQQRSA-N
Formula
C39H46O19
Mass
818.778
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 Hexacarboxylic acids and derivatives Naphthopyrans Naphthalenes Carboxylic acid orthoesters Delta valerolactones Ortho esters Oxepanes Pyrans Oxanes 1,3-dioxanes Methyl esters Tertiary alcohols 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
Mexicanolide - Limonoid skeleton - Prostaglandin skeleton - Eicosanoid - Hexacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Caprolactone - Ortho ester - Delta_valerolactone - Carboxylic acid orthoester - Oxepane - Delta valerolactone - Fatty acyl - Pyran - Meta-dioxane - Oxane - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Furan - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Orthocarboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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