Compound Identification
SMILES
COC(=O)C12OCC3(C1C1(C)C4C(OCC4(C(CC1OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)C3O)C1(O)C3CC(C1(C)O2)C1(O)C=COC1O3
InChIKey
InChIKey=TWGPOIQWWGNBKW-OVCLIPMQSA-N
Formula
C35H44O16
Mass
720.721
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
Naphthopyrans Tetracarboxylic acids and derivatives Naphthalenes Furopyrans 1,3-dioxepanes Fatty acid esters Ketals Oxepanes Oxanes Pyrans Tertiary alcohols Methyl esters Tetrahydrofurans Furans Enoate esters Dihydrofurans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Furopyran - 1,3-dioxepane - Ketal - Dioxepane - Fatty acid ester - Oxepane - Fatty acyl - Oxane - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Dialkyl ether - Carboxylic acid derivative - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - 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