Compound Identification
SMILES
CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C1(C)C52OC2CC1(O)C1=COC=C1
InChIKey
InChIKey=GSAWBDXYMSQMRT-UHFFFAOYSA-N
Formula
C31H40O12
Mass
604.649
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
Steroid esters Naphthopyrans Naphthalenes Fatty acid esters Pyrans Oxanes Heteroaromatic compounds Furans Tertiary alcohols Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Steroid ester - Naphthopyran - Naphthalene - Fatty acid ester - Oxane - Fatty acyl - Pyran - Cyclic alcohol - Furan - Heteroaromatic compound - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Acetal - Dialkyl ether - Oxirane - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - 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