Structure Database (LMSD)

Systematic Name
3-Hydroxy-4'-methoxyflavone
Synonyms
LM ID
LMPK12111617
Formula
Exact Mass
Calculate m/z
268.07356
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)
IIBBFGMVMNZMGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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