Compound Identification
SMILES
C[C@@]12CCC3[C@@]4(C)C=CC(=O)C(C)(C)C4C[C@@H](OC(=O)NC4=CC=CC=C4)[C@@]3(C)C1=CC[C@H]2C1=COC=C1
InChIKey
InChIKey=RGASQLBXPOBTJZ-ZDARKNKVSA-N
Formula
C33H39NO4
Mass
513.678
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 Delta-1-steroids Phenylcarbamic acid esters Cyclohexenones Heteroaromatic compounds Furans Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - Delta-1-steroid - Steroid - Phenylcarbamic acid ester - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen 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