Structure database (LMSD)

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LM IDLMPK12140045
Common Name4'-Hydroxyisoderricin
Systematic Name-
Synonyms4'-Hydroxy-7-methoxy-8-prenylflavanone
Exact Mass
338.1518 (neutral)    Calculate m/z:
FormulaC21H22O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID511789
METABOLOMICS IDFL2F1ANI0012
InChIKeyIIIACKGGDCVYPY-FQEVSTJZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H22O4/c1-13(2)4-9-17-19(24-3)11-10-16-18(23)12-20(25-21(16)17)14-5-7
-15(22)8-6-14/h4-8,10-11,20,22H,9,12H2,1-3H3/t20-/m0/s1
SMILESC1(OC)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
327.02Topological Polar
Surface Area
57.83Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.62Molar
Refractivity
96.55