Compound Identification
SMILES
C[C@@]12CC[C@@H]3C4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)C3(C)C11OC1C[C@H]2C1=COC=C1
InChIKey
InChIKey=OQMUOVSEPOBWMK-MFNRWJBWSA-N
Formula
C26H30O5
Mass
422.521
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 3-oxo delta-1-steroids 7-oxosteroids Delta-1-steroids Naphthopyrans Naphthalenes Cyclohexenones Oxanes Pyrans Heteroaromatic compounds Furans Epoxides Enols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - 3-oxo-delta-1-steroid - 7-oxosteroid - Oxosteroid - Delta-1-steroid - Steroid - Naphthopyran - Naphthalene - Cyclohexenone - Pyran - Oxane - Heteroaromatic compound - Furan - Ketone - Cyclic ketone - Dialkyl ether - Enol - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - 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