Structure Database (LMSD)

Common Name
Sakuranetin
Systematic Name
Synonyms
LM ID
LMPK12140571
Formula
Exact Mass
Calculate m/z
286.084125
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.81
Molar Refractivity 75.08

Admin

Created at
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Updated at
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