Structure database (LMSD)

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LM IDLMPK12140048
Common NameLophirone I
Systematic Name(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-
benzopyran-4-one
Synonyms-
Exact Mass
372.0998 (neutral)    Calculate m/z:
FormulaC23H16O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607815
METABOLOMICS IDFL2F1ANN0001
InChIKeyFKAOXSDPCYTXNP-QFIPXVFZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H16O5/c24-16-4-1-13(2-5-16)21-10-15-9-14(3-8-20(15)27-21)22-12-19(26
)18-7-6-17(25)11-23(18)28-22/h1-11,22,24-25H,12H2/t22-/m0/s1
SMILESC1(O)C=C2O[C@H](C3C=CC4OC(C5C=CC(O)=CC=5)=CC=4C=3)CC(=O)C2=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings5Aromatic Rings4Rotatable Bonds2
 van der Waals
Molecular Volume
315.97Topological Polar
Surface Area
81.97Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP5.22Molar
Refractivity
103.74