Compound Identification
SMILES
COC(=O)C1(C)C2CC(OC(C)=O)C3(C)C(C(=O)C(OC(C)=O)C4(C)C(CC5OC345)C3=COC=C3)C2(C)C=CC1=O
InChIKey
InChIKey=YHTMKQQPMFVOTD-UHFFFAOYSA-N
Formula
C31H36O10
Mass
568.619
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
Prostaglandins and related compounds 17-furanylsteroids and derivatives Steroid esters 11-oxosteroids 3-oxo delta-1-steroids Delta-1-steroids Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Alpha-acyloxy ketones Cyclohexenones Pyrans Oxanes Methyl esters Heteroaromatic compounds Furans Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Prostaglandin skeleton - 17-furanylsteroid skeleton - Eicosanoid - Steroid ester - 3-oxo-delta-1-steroid - 11-oxosteroid - Oxosteroid - Delta-1-steroid - Steroid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Cyclohexenone - Alpha-acyloxy ketone - Pyran - Oxane - Fatty acyl - Methyl ester - Furan - Heteroaromatic compound - Cyclic ketone - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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