Compound Identification
SMILES
C\C=C(/C)C(=O)OC1CC(OC(C)=O)C2(C)COC3C2C1(C)C1CC(O)OC2CC(C(C)=C2C1(C)C3OC(=O)\C=C\C1=CC=CC=C1)C1=COC=C1
InChIKey
InChIKey=NTNUMTAFBRLDAX-RJYQGEKKSA-N
Formula
C42H50O10
Mass
714.852
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
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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
Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Oxepanes Fatty acid esters Tetrahydrofurans Heteroaromatic compounds Furans Enoate esters Hemiacetals Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Cinnamic acid ester - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - Styrene - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Furan - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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