Structure database (LMSD)

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LM IDLMPK12160041
Common Name-
Systematic Name2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID10265117
METABOLOMICS IDFLII1CNS0002
InChIKeyUACAJEAOMACMMU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/
h1-6,16-17H,7H2
SMILESC1(O)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
222.29Topological Polar
Surface Area
74.36Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP2.72Molar
Refractivity
70.84