Compound Identification
SMILES
CCO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
InChIKey
InChIKey=OERXTQGJPXKXCK-RKPRJSJTSA-N
Formula
C27H36O8
Mass
488.577
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
Steroid lactones 11-oxosteroids 7-alpha-hydroxysteroids Naphthopyrans Naphthalenes 1,4-dioxepanes Delta valerolactones Ketals Pyrans Oxanes Heteroaromatic compounds Furans Tetrahydrofurans Ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Steroid lactone - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 2-oxosteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Steroid - Naphthopyran - Naphthalene - Delta valerolactone - Dioxepane - Delta_valerolactone - 1,4-dioxepane - Ketal - Pyran - Oxane - Tetrahydrofuran - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Ether - Oxirane - Dialkyl ether - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - 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