Structure Database (LMSD)

Common Name
Sophorafuran A
Systematic Name
2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran
Synonyms
LM ID
LMPK12160050
Formula
C16H12O6
Exact Mass
Calculate m/z
300.06339
Status
Curated
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)
JLUJDFKGPNDZDZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O6/c1-19-16-10(17)3-2-9(15(16)18)12-4-8-5-13-14(21-7-20-13)6-11(8)22-12/h2-6,17-18H,7H2,1H3
SMILES (Click to copy)
C1(O)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1OC

Other Databases

METABOLOMICS ID
FLII3CNS0001
PubChem CID
44260114

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 248.38
Topological Polar Surface Area 83.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.73
Molar Refractivity 77.39

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Updated at
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