Compound Identification
SMILES
COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
InChIKey
InChIKey=PIMHETLTQXNYHC-BGLWURERSA-N
Formula
C27H34O8
Mass
486.561
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 Naphthopyrans Naphthalenes 1,4-dioxepanes Delta valerolactones Pyrans Oxanes Dicarboxylic acids and derivatives Tetrahydrofurans Methyl esters Heteroaromatic compounds Furans Ketones Dialkyl ethers Oxacyclic compounds Epoxides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Steroid lactone - 11-oxosteroid - Oxosteroid - 2-oxosteroid - Steroid - Naphthopyran - Naphthalene - Delta valerolactone - Dioxepane - Delta_valerolactone - 1,4-dioxepane - Dicarboxylic acid or derivatives - Pyran - Oxane - Heteroaromatic compound - Tetrahydrofuran - Methyl ester - Furan - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Oxirane - Ether - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - 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