Structure Database (LMSD)

Common Name
2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
Systematic Name
Synonyms
LM ID
LMPK12140488
Formula
Exact Mass
Calculate m/z
424.18859
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)
FAZILTFMKCGRKR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(17(26)10-19(16)28)21-12-20(29)23-22(31-21)11-18(27)14(24(23)30)8-7-13(2)3/h6-7,9-11,21,26-28,30H,1,8,12H2,2-5H3
SMILES (Click to copy)
C1(C/C=C(/C)\C)C(O)=CC2OC(C3C(O)=CC(O)=C(C(C)(C=C)C)C=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.19
Molar Refractivity 118.22

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Updated at
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