Structure database (LMSD)

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LM IDLMPK12140046
Common NameProstratol F
Systematic Name(2S)-7,4'-Dihydroxy-8-geranylflavanone
Synonyms-
Exact Mass
392.1988 (neutral)    Calculate m/z:
FormulaC25H28O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607813
METABOLOMICS IDFL2F1ANI0013
InChIKeyIJCCBLTVMMYSFZ-WAKDBBHESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O4/c1-16(2)5-4-6-17(3)7-12-20-22(27)14-13-21-23(28)15-24(29-25(20
)21)18-8-10-19(26)11-9-18/h5,7-11,13-14,24,26-27H,4,6,12,15H2,1-3H3/b17-7+/t24-/
m0/s1
SMILESC1(O)C(C/C=C(/CC/C=C(/C)\C)\C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings3Aromatic Rings2Rotatable Bonds6
 van der Waals
Molecular Volume
393.58Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP6.04Molar
Refractivity
114.66