Structure Database (LMSD)

Common Name
Maximaisoflavone J
Systematic Name
7-Prenyloxy-4'-methoxyisoflavone
Synonyms
LM ID
LMPK12050029
Formula
Exact Mass
Calculate m/z
336.13616
Status
Active

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
XZMVXCSKRYOMID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O4/c1-14(2)10-11-24-17-8-9-18-20(12-17)25-13-19(21(18)22)15-4-6-16(23-3)7-5-15/h4-10,12-13H,11H2,1-3H3
SMILES (Click to copy)
C1(OC/C=C(/C)\C)C=CC2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1

Other Databases

CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 313.48
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.00
Molar Refractivity 100.00

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Updated at
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