Structure Database (LMSD)

HO OH O OH O
Common Name
5'-Prenylxanthohumol
Systematic Name
3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone
Synonyms
LM ID
LMPK12120296
Formula
C26H30O5
Exact Mass
Calculate m/z
422.209325
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HOTYOZVURUOVTK-XNTDXEJSSA-N
InChi (Click to copy)
InChI=1S/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3/b15-10+
SMILES (Click to copy)
C1(C/C=C(/C)\C)C(OC)=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C(C/C=C(\C)/C)C=1O

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0035066
CHEBI ID
172663
METABOLOMICS ID
FL1CBANI0003
PubChem CID
23250008

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 429.39
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.73
Molar Refractivity 124.06

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Created at
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Updated at
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