Structure Database (LMSD)

Common Name
Himalaflavone D
Systematic Name
(S)-2-hydroxy-6,8-dimethoxy-7-methylflavanone
Synonyms
LM ID
LMPK12140703
Status
Active
Exact Mass
Calculate m/z
314.115425
Formula
C18H18O5
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
TVKXOJMKBMTADS-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-11-15(21-2)9-13-14(19)10-18(20,12-7-5-4-6-8-12)23-17(13)16(11)22-3/h4-9,20H,10H2,1-3H3/t18-/m0/s1
SMILES (Click to copy)
C1(C)C(OC)=C2O[C@](O)(C3C=CC=CC=3)CC(=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 2.82
Molar Refractivity 84.20

Admin

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