Compound Identification
SMILES
CCC(C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@H](C[C@H]3OC(C)=O)OC(C)=O)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@@H]4O[C@]34[C@]12C)C1=COC=C1
InChIKey
InChIKey=WXLJFWSIRHRKEI-HINHAAGSSA-N
Formula
C35H46O11
Mass
642.742
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Naphthofurans Naphthalenes 1,4-dioxepanes Fatty acid esters Delta valerolactones Pyrans Oxanes Tetrahydrofurans Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthofuran - Tetracarboxylic acid or derivatives - Naphthalene - 1,4-dioxepane - Delta valerolactone - Dioxepane - Fatty acid ester - Delta_valerolactone - Oxane - Fatty acyl - Pyran - Heteroaromatic compound - Tetrahydrofuran - Furan - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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