Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)C1=CC(O)OC1=O
InChIKey
InChIKey=KMGFDEJJTURBCE-BTEWWXTDSA-N
Formula
C28H34O8
Mass
498.572
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
Steroid esters 3-oxo delta-1-steroids Delta-1-steroids Naphthopyranones Naphthalenes Pyranones and derivatives Cyclohexenones Oxanes Butenolides Dicarboxylic acids and derivatives Enoate esters Lactones Hemiacetals Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Steroid ester - 3-oxo-delta-1-steroid - Delta-1-steroid - Steroid - Naphthopyranone - Naphthopyran - Naphthalene - Cyclohexenone - Pyranone - 2-furanone - Dicarboxylic acid or derivatives - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Cyclic ketone - Carboxylic acid ester - Lactone - Ketone - Hemiacetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic 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