Structure database (LMSD)

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LM IDLMPK12140016
Common Name-
Systematic Name8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
Synonyms-
Exact Mass
374.1882 (neutral)    Calculate m/z:
FormulaC25H26O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607800
METABOLOMICS IDFL2F19NP0002
InChIKeyVBTDTADYYPMGAF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H26O3/c1-16(2)10-11-19-23-18(12-13-25(3,4)28-23)14-20-21(26)15-22(27
-24(19)20)17-8-6-5-7-9-17/h5-10,12-14,22H,11,15H2,1-4H3
SMILESC1C(C2CC(=O)C3C=C4C=CC(C)(C)OC4=C(C/C=C(\C)/C)C=3O2)=CC=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
372.43Topological Polar
Surface Area
39.67Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP6.37Molar
Refractivity
112.59