Structure Database (LMSD)

Common Name
Boeravinone A methyl ether
Systematic Name
Synonyms
LM ID
LMPK12060084
Status
Active
Exact Mass
Calculate m/z
342.11034
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)
VVZRLSBUBGUTQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-9-12(22-2)8-13-15(16(9)20)17(21)14-10-6-4-5-7-11(10)25-19(23-3)18(14)24-13/h4-8,14,18-20H,1-3H3
SMILES (Click to copy)
C1(OC)C=C2OC3C(OC)OC4=CC=CC=C4C3C(=O)C2=C(O)C=1C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mirabilis himalaica (#482968)
Magnoliopsida (#3398)
Himalaflavone A-E, five new flavonoids from Oxybaphus himalaicus.,
Nat Prod Res, 2020
Pubmed ID: 32476473

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 300.28
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.37
Molar Refractivity 89.77

Admin

Created at
2nd Jun 2020
Updated at
2nd Jun 2020