Structure Database (LMSD)

Common Name
Mboudiexanthone
Systematic Name
1,5,8-trihydroxy-2-(3-methyl-2-butenyl)xanthone
Synonyms
LM ID
LMPK12113398
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

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

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

Other Databases

PubChem CID
171120529

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

Admin

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