Compound Identification
SMILES
CC(=O)OC1=C2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1
InChIKey
InChIKey=JNXRHONHDZDCRB-ZVLDLJJCSA-N
Formula
C28H32O6
Mass
464.558
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
17-furanylsteroids and derivatives Steroid esters 3-oxo delta-1-steroids 7-oxosteroids Delta-1-steroids Naphthopyrans Naphthalenes Cyclohexenones Oxanes Pyrans Heteroaromatic compounds Furans Enol esters Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - 3-oxo-delta-1-steroid - 7-oxosteroid - Oxosteroid - Delta-1-steroid - Steroid - Naphthopyran - Naphthalene - Cyclohexenone - Oxane - Pyran - Enol ester - Furan - Heteroaromatic compound - Ketone - Carboxylic acid ester - Cyclic ketone - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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