Structure database (LMSD)

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LM IDLMPK12120318
Common Name4'-O-Methylxanthohumol
Systematic Name-
Synonyms-
Exact Mass
368.1624 (neutral)    Calculate m/z:
FormulaC22H24O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassChalcones and dihydrochalcones [PK1212]
PubChem CID10959555
METABOLOMICS IDFL1CDANI0001
HMDB IDHMDB0038815
InChIKeyUVBDKJHYMQEAQV-XYOKQWHBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H24O5/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6
-9-16(23)10-7-15/h5-10,12-13,23,25H,11H2,1-4H3/b12-8+
SMILESC1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(OC)=CC=1OC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings2Aromatic Rings2Rotatable Bonds7
 van der Waals
Molecular Volume
362.83Topological Polar
Surface Area
75.99Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP4.52Molar
Refractivity
105.82