Structure Database (LMSD)

Systematic Name
(2S)-7-hydroxy-5-methoxy-6-methylflavanone
Synonyms
LM ID
LMPK12140706
Status
Active
Exact Mass
Calculate m/z
284.10486
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VWTJLHQGHXGHKG-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mirabilis himalaica (#482968)
Magnoliopsida (#3398)
Himalaflavone A-E, five new flavonoids from Oxybaphus himalaicus.,
Nat Prod Res, 2020
Pubmed ID: 32476473

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.46
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.42
Molar Refractivity 78.15

Admin

Created at
2nd Jun 2020
Updated at
2nd Jun 2020