Compound Identification
SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(OC(C)=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](OC(=O)[C@H]4O[C@@]34[C@]12C)C1=COC=C1
InChIKey
InChIKey=DQDMCINGPLFPLI-AUPXFUGGSA-N
Formula
C30H38O8
Mass
526.626
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 1,4-dioxepanes Delta valerolactones Pyrans Oxanes Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Delta valerolactone - Dioxepane - Delta_valerolactone - 1,4-dioxepane - Oxane - Pyran - Heteroaromatic compound - Furan - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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