Structure database (LMSD)

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LM IDLMPK12100027
Common Name-
Systematic Name5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-
b:5,4-b']dipyran-2,6-dione
Synonyms-
Exact Mass
404.1624 (neutral)    Calculate m/z:
FormulaC25H24O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassNeoflavonoids [PK1210]
PubChem CID44257542
METABOLOMICS IDFLNAA9NP0006
InChIKeyLCHRCBXGRPWRBG-GJZGRUSLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H24O5/c1-13(2)10-11-17-24-20(18(12-19(26)30-24)16-8-6-5-7-9-16)23(28
)21-22(27)14(3)15(4)29-25(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m0/s1
SMILESC12O[C@@H](C)[C@H](C)C(=O)C1=C(O)C1C(C3C=CC=CC=3)=CC(=O)OC=1C=2C/C=C(/C)\C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
376.47Topological Polar
Surface Area
78.81Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP6.46Molar
Refractivity
116.92