Compound Identification
SMILES
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C
InChIKey
InChIKey=KPDOJFFZKAUIOE-UHFFFAOYSA-N
Formula
C28H34O9
Mass
514.571
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Triterpenoids
- Level 5 Limonoids
-
Subclass
Triterpenoids
-
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
Naphthopyrans Naphthalenes Tricarboxylic acids and derivatives Oxepanes 1,4-dioxepanes Delta valerolactones Pyrans Oxanes Heteroaromatic compounds Furans Carboxylic acid esters Ketones Oxacyclic compounds Dialkyl ethers Epoxides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Caprolactone - 1,4-dioxepane - Delta valerolactone - Dioxepane - Oxepane - Delta_valerolactone - Pyran - Oxane - Heteroaromatic compound - Furan - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen 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