Compound Identification
SMILES
CCC(C)C(=O)OC1OCC23C(OC(C)=O)C(O)C(OC(C)=O)C1(C)C2CC(O)C1(C)C3C(=O)C(O)C2(C)C(CC3OC123)C1=COC=C1
InChIKey
InChIKey=QPMNKWBNXWESEZ-UHFFFAOYSA-N
Formula
C35H46O13
Mass
674.74
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
17-furanylsteroids and derivatives Steroid esters Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Fatty acid esters Pyrans Oxanes Furans Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Ketones Polyols Epoxides Dialkyl ethers Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Pyran - Oxane - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Secondary alcohol - Ketone - Polyol - Acetal - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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