Compound Identification
SMILES
CCCCCCCCCCCCCCC(O)C(O)CC[C@H](O)[C@H]1CC[C@H](CCCCCC(O)CC2=CC(C)OC2=O)O1
InChIKey
InChIKey=VFRBLIGIRLWBKM-LDKZKKIKSA-N
Formula
C35H64O7
Mass
596.89
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
Long-chain fatty alcohols Butenolides Oxolanes Enoate esters Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Annonaceae acetogenin skeleton - Long chain fatty alcohol - 2-furanone - Dihydrofuran - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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