Structure Database (LMSD)
Systematic Name
2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Synonyms
3D model of
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)
ZSGMWCFFXCOFPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O5/c1-18-10-2-3-11(12(17)6-10)14-4-9-5-15-16(20-8-19-15)7-13(9)21-14/h2-7,17H,8H2,1H3
SMILES (Click to copy)
C1(OC)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
239.59
Topological Polar Surface Area
63.36
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.02
Molar Refractivity
75.72
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Updated at
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