Structure Database (LMSD)

Common Name
4'-O-Methylxanthohumol
Systematic Name
Synonyms
LM ID
LMPK12120318
Formula
C22H24O5
Exact Mass
Calculate m/z
368.162375
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
UVBDKJHYMQEAQV-XYOKQWHBSA-N
InChi (Click to copy)
InChI=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+
SMILES (Click to copy)
C1=CC(O)=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(OC)=CC=1OC

Other Databases

HMDB ID
HMDB0038815
CHEBI ID
136828
METABOLOMICS ID
FL1CDANI0001
PubChem CID
10959555

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 362.83
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.52
Molar Refractivity 105.82

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Updated at
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