Structure Database (LMSD)

Common Name
Haginin D
Systematic Name
7,2',4'-Trihydroxyisoflavene
Synonyms
LM ID
LMPK12080062
Formula
Exact Mass
Calculate m/z
256.07356
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
IHOXLUDKLLDPHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2
SMILES (Click to copy)
C1(O)C=CC2C=C(C3=CC=C(O)C=C3O)COC=2C=1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 225.86
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.02
Molar Refractivity 71.73

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Updated at
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