Structure Database (LMSD)

Common Name
Mboudiexanthone
Systematic Name
1,5,8-trihydroxy-2-(3-methyl-2-butenyl)xanthone
Synonyms
LM ID
LMPK12113398
Status
Active
Exact Mass
Calculate m/z
312.099775
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XRJLAKPQZFDPIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-9(2)3-4-10-5-8-13-15(16(10)21)17(22)14-11(19)6-7-12(20)18(14)23-13/h3,5-8,19-21H,4H2,1-2H3
SMILES (Click to copy)
C1(O)=CC=C(O)C2OC3=CC=C(C/C=C(\C)/C)C(O)=C3C(=O)C1=2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Garcinia (#58227)
Magnoliopsida (#3398)
Antiproliferative activity of a new xanthone derivative from leaves of Garcinia nobilis Engl.,
Nat Prod Res, 2020
Pubmed ID: 32791845

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 273.01
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.47
Molar Refractivity 88.23

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Created at
19th Aug 2020
Updated at
19th Aug 2020