Structure database (LMSD)

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LM IDLMPK03000053
Common NameTucupentol
Systematic Name-
Synonyms-
Exact Mass
612.4601 (neutral)    Calculate m/z:
FormulaC35H64O8
CategoryPolyketides [PK]
Main ClassAnnonaceae acetogenins [PK03]
Sub Class-
PubChem CID-
InChIKeySQDIWMIOUCHMEV-WAIQCWCTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(38)32(39)21-22-33(40)34-23-20-30(43-34)18-14-16-28(36)15-13-17-29(37)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28?,29-,30-,31-,32-,33+,34+/m0/s1
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SMILES
C(CC(O)CCC[C@@H]1O[C@@H]([C@H](O)CC[C@H](O)[C@@H](O)CCCCCCCCCCCC)CC1)C[C@H](O)CC1C(=O)O[C@@H](C)C=1
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StatusActive
ReferencesTucupentol, a Novel Mono‐tetrahydrofuranic Acetogenin from Annona montana , as a Potent Inhibitor of Mitochondrial Complex
Chem Biodivers. 2009
DOI: 10.1002/cbdv.200800102
PMID: 19319860
Calculated physicochemical properties (?):
 Heavy Atoms43Rings2Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
654.38Topological Polar
Surface Area
140.82Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
8
 logP8.32Molar
Refractivity
173.68