Compound Identification
SMILES
CC(=O)OC1CC2C(C)(C)C(O)CCC2(C)C2CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1
InChIKey
InChIKey=IVHWWYNBMIROCV-UHFFFAOYSA-N
Formula
C28H38O7
Mass
486.605
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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 Naphthalenes 1,4-dioxepanes Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Furans Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthalene - 1,4-dioxepane - Delta valerolactone - Dioxepane - Delta_valerolactone - Pyran - Oxane - Dicarboxylic acid or derivatives - Heteroaromatic compound - Cyclic alcohol - Furan - Secondary alcohol - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - 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