Compound Identification
SMILES
CC(C)(C)OC(=O)NCC(=O)O[C@@H]1CC2C(C)(C)C(=O)C=C[C@]2(C)C2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)C1=COC=C1
InChIKey
InChIKey=AYGSRRHXLMXFCZ-RNLPCQRDSA-N
Formula
C33H45NO6
Mass
551.724
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Delta-1-steroids Alpha amino acid esters Cyclohexenones Carbamate esters Furans Heteroaromatic compounds Carboxylic acid esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - 17-furanylsteroid skeleton - Steroid ester - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-1-steroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Cyclohexenone - Carbamic acid ester - Furan - Heteroaromatic compound - Carbonic acid derivative - Cyclic ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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