Structure Database (LMSD)

O O O OH O O
Common Name
Boeravinone A methyl ether
Systematic Name
Synonyms
LM ID
LMPK12060084
Formula
C19H18O6
Exact Mass
Calculate m/z
342.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
VVZRLSBUBGUTQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O6/c1-9-12(22-2)8-13-15(16(9)20)17(21)14-10-6-4-5-7-11(10)25-19(23-3)18(14)24-13/h4-8,14,18-20H,1-3H3
SMILES (Click to copy)
C1(OC)C=C2OC3C(OC)OC4=CC=CC=C4C3C(=O)C2=C(O)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
171119389

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 300.28
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.37
Molar Refractivity 89.77

Admin

Created at
2nd Jun 2020
Updated at
10th Feb 2021