Compound Identification
SMILES
CCCCCCCCCC[C@@H]1O[C@@H](CC[C@H]1O)[C@@H]1CC[C@H](OCO1)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
InChIKey
InChIKey=HZKSZCZRLLSHSF-OJMJNKKESA-N
Formula
C38H66O8
Mass
650.938
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty alcohols
- Level 5 Annonaceous acetogenins
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Subclass
Fatty alcohols
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty alcohols
Intermediate Tree Nodes
Not available
Direct Parent
Annonaceous acetogenins
Alternative Parents
C-glycosyl compounds 1,3-dioxepanes Oxanes Butenolides Oxolanes Enoate esters Secondary alcohols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Annonaceae acetogenin skeleton - C-glycosyl compound - Glycosyl compound - 1,3-dioxepane - Dioxepane - 2-furanone - Oxane - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Acetal - Dialkyl ether - Organoheterocyclic compound - Ether - Carbonyl group - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.
External Descriptors
Not available