Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12130007
Common Name-
Systematic Name3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
Synonyms-
Exact Mass
306.0528 (neutral)    Calculate m/z:
FormulaC18H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607743
METABOLOMICS IDFL1A1CNF0001
InChIKeyUTMHQTAESOETQZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H10O5/c19-17-12-2-4-13-11(5-6-20-13)18(12)23-16(17)8-10-1-3-14-15(7-
10)22-9-21-14/h1-8H,9H2
SMILESC12C(=O)C(=CC3C=C4OCOC4=CC=3)OC=1C1C=COC=1C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings5Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
245.65Topological Polar
Surface Area
64.11Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP3.78Molar
Refractivity
81.71