Structure Database (LMSD)

OH HO OH O
Common Name
Desmethylisoxanthohumol
Systematic Name
Synonyms
LM ID
LMPK12120213
Formula
C20H20O4
Exact Mass
Calculate m/z
324.13616
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)
HDFDQMFITYCMDM-PKNBQFBNSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-13(2)8-10-15-17(22)12-18(23)19(20(15)24)16(21)11-9-14-6-4-3-5-7-14/h3-9,11-12,22-24H,10H2,1-2H3/b11-9+
SMILES (Click to copy)
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1O

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0129257
METABOLOMICS ID
FL1CA9NI0001
PubChem CID
11992148

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 319.44
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.21
Molar Refractivity 94.38

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Updated at
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