Structure database (LMSD)

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LM IDLMPK12140013
Common Name-
Systematic Name7-Prenyloxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607799
METABOLOMICS IDFL2F19NI0004
InChIKeyZVDGUVHERNKBSI-WYMLVPIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/c1-17(2)13-15-28-22-11-10-19-21(26)16-23(18-8-6-5-7-9-18)29-24
(19)20(22)12-14-25(3,4)27/h5-14,23,27H,15-16H2,1-4H3/b14-12+
SMILESC1(OC/C=C(\C)/C)=C(/C=C/C(O)(C)C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings3Aromatic Rings2Rotatable Bonds6
 van der Waals
Molecular Volume
393.58Topological Polar
Surface Area
57.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.09Molar
Refractivity
116.46