Structure Database (LMSD)

Common Name
Parvifuran
Systematic Name
5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
Synonyms
LM ID
LMPK12160051
Status
Active
Exact Mass
Calculate m/z
254.094295
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)
RICORHDCMSYMOL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-9,17H,1-2H3
SMILES (Click to copy)
C1C=CC(C2OC3=CC(OC)=C(O)C=C3C=2C)=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 223.47
Topological Polar Surface Area 42.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.12
Molar Refractivity 74.60

Admin

Created at
-
Updated at
-