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](C(=O)[C@@H]4O[C@]34[C@]12C)C1=COC=C1
InChIKey
InChIKey=MAMKEGPPZHCIDU-RWSIHWRNSA-N
Formula
C35H46O10
Mass
626.743
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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 Naphthopyranones Naphthofurans Naphthalenes Tricarboxylic acids and derivatives Fatty acid esters Pyranones and derivatives Oxanes Heteroaromatic compounds Furans Tetrahydrofurans Carboxylic acid esters Ketones Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - Steroid - Naphthopyranone - Naphthopyran - Naphthofuran - Naphthalene - Tricarboxylic acid or derivatives - Fatty acid ester - Pyranone - Fatty acyl - Pyran - Oxane - Furan - Heteroaromatic compound - Tetrahydrofuran - Ketone - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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