Structure Database (LMSD)

Common Name
Elliptone
Systematic Name
12,12a-Dihydro-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one
Synonyms
  • Derride
LM ID
LMPK12060009
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Derris elliptica (#56063)
Magnoliopsida (#3398)
The active principles of leguminous fish-poison plants. Part II. The isolation of 1-elliptone from Derris elliptica,
Journal of the Chemical Society (Resumed), 1939

String Representations

InChiKey (Click to copy)
KPSZGBRARBOMHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C=C2

Other Databases

METABOLOMICS ID
FLIF1LNF0003
PubChem CID
13846199

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 291.68
Topological Polar Surface Area 71.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.14
Molar Refractivity 93.74

Admin

Created at
-
Updated at
18th Aug 2025