Structure Database (LMSD)

Common Name
Parmosidone K
Systematic Name
Synonyms
LM ID
LMPK13080003
Formula
C25H20O10
Exact Mass
Calculate m/z
480.10565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Depsides and depsidones [PK1308]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Parmotrema (#172634)
Lecanoromycetes (#147547)
Parmosidone K, a new meta-depsidone from the lichen Parmotrema tsavoense,
Nat Prod Res, 2020
Pubmed ID: 33213224

String Representations

InChiKey (Click to copy)
OOQYXXMOFTVRQC-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
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

Other Databases

PubChem CID
170988738

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 415.14
Topological Polar Surface Area 174.96
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 3.86
Molar Refractivity 120.38

Admin

Created at
20th Nov 2020
Updated at
20th Nov 2020