Compound Identification
SMILES
CC(C)CC(=O)O[C@H]1[C@H](OC=O)[C@H](C(=C)[C@]2(O)C(=O)C[C@H](C3=COC=C3)[C@]12C)[C@]1(C)[C@H]2CC(=O)OC[C@@]2(C)OC(=O)C[C@@H]1OC(C)=O
InChIKey
InChIKey=BGIQNWKPRGQOMD-PPSVOAGPSA-N
Formula
C34H42O13
Mass
658.697
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
-
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
Pentacarboxylic acids and derivatives Oxepanes Fatty acid esters Delta valerolactones Oxanes Tertiary alcohols Heteroaromatic compounds Furans Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Pentacarboxylic acid or derivatives - Caprolactone - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Fatty acyl - Oxane - Cyclic alcohol - Furan - Heteroaromatic compound - Tertiary alcohol - Lactone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen 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