Compound Identification
SMILES
COC(=O)[C@]1(O)OC[C@]23[C@H]4[C@@H](OC[C@]4([C@@H](C[C@@H]2OC(=O)C(\C)=C/C)OC(=O)\C=C\C2=CC=CC=C2)C(=O)OC)[C@@H](O)[C@@](C)([C@H]13)[C@@]12O[C@]1(C)[C@H]1C[C@@H]2O[C@@H]2OC=C[C@@]12O
InChIKey
InChIKey=PAIKRGQFDMVSAK-CLTOYVOGSA-N
Formula
C42H48O16
Mass
808.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Triterpenoids
- Level 5 Limonoids
-
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
Tetracarboxylic acids and derivatives Cinnamic acid esters Furopyrans Styrenes Oxepanes Fatty acid esters Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Methyl esters Furans Enoate esters Dihydrofurans Secondary alcohols Hemiacetals Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Tetracarboxylic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Furopyran - Styrene - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Furan - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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