Structure Database (LMSD)

Common Name
Vignafuran
Systematic Name
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
Synonyms
LM ID
LMPK12160036
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YCDZKMJZSGRQML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
SMILES (Click to copy)
C12OC(C3C(OC)=CC(O)=CC=3)=CC=1C=CC(OC)=C2

Other Databases

KEGG ID
C08993
HMDB ID
HMDB0033940
CHEBI ID
9980
METABOLOMICS ID
FLII1ANS0001
PubChem CID
441958

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 232.26
Topological Polar Surface Area 51.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.82
Molar Refractivity 76.42

Admin

Created at
-
Updated at
-