Structure Database (LMSD)

Common Name
6,2'4'-Trihydroxy-2-phenylbenzofuran
Systematic Name
2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran
Synonyms
LM ID
LMPK12160037
Formula
C14H10O4
Exact Mass
Calculate m/z
242.05791
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)
GYHKMDWFVHCCRA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H10O4/c15-9-3-4-11(12(17)6-9)14-5-8-1-2-10(16)7-13(8)18-14/h1-7,15-17H
SMILES (Click to copy)
C1(O)C=CC(C2OC3=CC(O)=CC=C3C=2)=C(O)C=1

Other Databases

CHEBI ID
169055
METABOLOMICS ID
FLII1ANS0002
PubChem CID
15480861

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 197.66
Topological Polar Surface Area 73.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.22
Molar Refractivity 66.64

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Updated at
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