Compound Identification
SMILES
CCOC1=C[C@]2(C)C3CC[C@@]4(C)[C@@H](CC=C4[C@]3(C)[C@H](O)CC2C(C)(C)C1=O)C1=COC=C1
InChIKey
InChIKey=BZOHFZWRZLRHFA-CKHJIHJQSA-N
Formula
C28H38O4
Mass
438.608
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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 7-hydroxysteroids 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Heteroaromatic compounds Furans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - 3-oxo-delta-1-steroid - 3-oxosteroid - 7-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-1-steroid - Steroid - Cyclohexenone - Heteroaromatic compound - Cyclic alcohol - Furan - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - 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