Structure Database (LMSD)

Systematic Name
5-Hydroxy-7-prenyloxy-8-C-prenylflavanone
Synonyms
LM ID
LMPK12140172
Formula
Exact Mass
Calculate m/z
392.19876
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)
LEZGVNCLKUBJJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-16(2)10-11-19-23(28-13-12-17(3)4)15-21(27)24-20(26)14-22(29-25(19)24)18-8-6-5-7-9-18/h5-10,12,15,22,27H,11,13-14H2,1-4H3
SMILES (Click to copy)
C1(OC/C=C(/C)\C)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.24
Molar Refractivity 115.42

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Updated at
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