Structure database (LMSD)

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LM IDLMPK03000054
Common NameAnnonamuricin A
Systematic Name-
Synonyms-
Exact Mass
596.4652 (neutral)    Calculate m/z:
FormulaC35H64O7
CategoryPolyketides [PK]
Main ClassAnnonaceae acetogenins [PK03]
Sub Class-
PubChem CID-
InChIKeyWYJPPFWINWEEDB-PMHWKYHPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-10-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30-,31+,32+,33+,34+/m0/s1
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SMILES
C(CC[C@H](O)CC1C(O[C@@H](C)C=1)=O)CCCCC[C@@H]1O[C@@H]([C@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCC)CC1
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StatusActive
ReferencesNovel Annonaceous acetogenins from Graviola (Annona muricata) fruitswith strong anti-proliferative activity
Tetrahedron Lett. 2017
DOI: 10.1016/j.tetlet.2017.04.016
PMID: 31798193
Calculated physicochemical properties (?):
 Heavy Atoms42Rings2Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
645.59Topological Polar
Surface Area
120.59Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP9.07Molar
Refractivity
171.77