Compound Identification
SMILES
CCCCCC[C@H]1CCC[C@H](OCO1)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](CCCCCCCCCC2=CC(C)OC2=O)OCO1
InChIKey
InChIKey=LCIYLJBSFPGWOR-RJNOGCBYSA-N
Formula
C39H66O8
Mass
662.949
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
-
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
1,3-dioxepanes Butenolides Oxolanes Enoate esters 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 - 1,3-dioxepane - Dioxepane - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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