Structure Database (LMSD)

Common Name
Himalaflavone E
Systematic Name
2S-2'-hydroxy-6,8-dimethoxy-7-methylflavanone
Synonyms
LM ID
LMPK12140704
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
SZXNRQHRBBEHGL-INIZCTEOSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-10-15(21-2)8-12-14(20)9-16(23-18(12)17(10)22-3)11-6-4-5-7-13(11)19/h4-8,16,19H,9H2,1-3H3/t16-/m0/s1
SMILES (Click to copy)
C1(C)C(OC)=C2O[C@H](C3C(O)=CC=CC=3)CC(=O)C2=CC=1OC

Other Databases

PubChem CID
171120348

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 3.42
Molar Refractivity 84.71

Admin

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