Compound Identification
SMILES
CO[C@H]1C[C@@H]2[C@]3(C)[C@H]4[C@@H](OC[C@]4(C)[C@@H](C[C@@H]3OC(=O)\C=C\C3=CC=CC=C3)OC(C)=O)[C@@H](O)[C@@]2(C)C2=C(C)[C@@H](C[C@@H]2O1)C1=COC=C1
InChIKey
InChIKey=ZMGNYWCAOWTGBZ-KGPIWROPSA-N
Formula
C38H46O9
Mass
646.777
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
Cinnamic acid esters Styrenes Oxepanes Fatty acid esters Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Furans Enoate esters Secondary alcohols Cyclic alcohols and derivatives Acetals Oxacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Cyclic alcohol - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Enoate ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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