Compound Identification
SMILES
CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2CC3=C4CC(=O)O[C@@H](C5=C[C@@H](O)OC5=O)[C@@]4(C)CC[C@H]3[C@@](C)([C@@H](CC(=O)OC)C1(C)C)C2=O
InChIKey
InChIKey=GTGPZVFALNFBOM-AFFCCKDUSA-N
Formula
C32H42O10
Mass
586.678
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
-
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
Naphthopyrans Tetracarboxylic acids and derivatives Naphthalenes Fatty acid esters Delta valerolactones Pyrans Oxanes Butenolides Methyl esters Enoate esters Ketones Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mexicanolide - Limonoid skeleton - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Pyran - Oxane - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Dihydrofuran - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic 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