Structure Database (LMSD)

O HO O
Common Name
Parvifuran
Systematic Name
5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
Synonyms
LM ID
LMPK12160051
Formula
C16H14O3
Exact Mass
Calculate m/z
254.094295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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
FLII9CNM0001
PubChem CID
5314863

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

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Updated at
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