Structure database (LMSD)

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LM IDLMPK13080003
Common NameParmosidone K
Systematic Name-
Synonyms-
Exact Mass
480.1057 (neutral)    Calculate m/z:
FormulaC25H20O10
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDepsides and depsidones [PK1308]
PubChem CID-
InChIKeyOOQYXXMOFTVRQC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H20O10/c1-9-4-12(27)6-17(29)13(9)7-14-20(30)19(24(31)32)11(3)21-23(14)34-22-15(8-26)16(28)5-10(2)18(22)25(33)35-21/h4-6,8,27-30H,7H2,1-3H3,(H,31,32)
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SMILES
C1(C)=CC(O)=C(C=O)C2OC3=C(CC4=C(O)C=C(O)C=C4C)C(O)=C(C(=O)O)C(C)=C3OC(=O)C1=2
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StatusActive
ReferencesParmosidone K, a new meta-depsidone from the lichen Parmotrema tsavoense
Nat Prod Res 2020
DOI: 10.1080/14786419.2020.1844697
PMID: 33213224
Calculated physicochemical properties (?):
 Heavy Atoms35Rings4Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
415.14Topological Polar
Surface Area
174.96Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
10
 logP3.86Molar
Refractivity
120.38