Structure Database (LMSD)

Systematic Name
2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Synonyms
LM ID
LMPK12160042
Formula
C16H12O5
Exact Mass
Calculate m/z
284.068475
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)
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

METABOLOMICS ID
FLII1CNS0003
PubChem CID
44260109

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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