Structure Database (LMSD)
Common Name
Parvifuran
Systematic Name
5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran
Synonyms
3D model of Parvifuran
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
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
Other Databases
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
-