Compound Identification
SMILES
CC[C@@H](C)C(O)C(=O)O[C@H]1[C@@H]2O[C@H]3CC(=O)O[C@]4(C)COC(=O)C[C@@H]4[C@@]3(C)[C@@H]2C(=C)[C@@]2(O)C(=O)CC(C3=COC=C3)[C@]12C
InChIKey
InChIKey=WQTDOKKJTKGBTA-BTQFQRCOSA-N
Formula
C32H40O11
Mass
600.661
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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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
Tricarboxylic acids and derivatives Oxepanes Fatty acid esters Delta valerolactones Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Furans Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Limonoid skeleton - Tricarboxylic acid or derivatives - Caprolactone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Oxane - Monosaccharide - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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