Structure Database (LMSD)

Common Name
Himalaflavone B
Systematic Name
(2S,3S)-3-hydroxy-6,8-dimethoxy-7-methylflavanone
Synonyms
LM ID
LMPK12140701
Status
Active
Exact Mass
Calculate m/z
314.115425
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)
QMFKCIGTCHYXMA-WBVHZDCISA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-10-13(21-2)9-12-14(19)15(20)17(11-7-5-4-6-8-11)23-18(12)16(10)22-3/h4-9,15,17,20H,1-3H3/t15-,17+/m1/s1
SMILES (Click to copy)
C1(C)C(OC)=C2O[C@@H](C3C=CC=CC=3)[C@H](O)C(=O)C2=CC=1OC

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

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 2.98
Molar Refractivity 84.94

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