Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
Synonyms
LM ID
LMPK12140453
Formula
C22H24O6
Exact Mass
Calculate m/z
384.15729
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LMJYCCOYYJEVOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O6/c1-12(2)5-6-13-7-14(8-20(26-3)22(13)27-4)18-11-17(25)21-16(24)9-15(23)10-19(21)28-18/h5,7-10,18,23-24H,6,11H2,1-4H3
SMILES (Click to copy)
C1(O)C=C2OC(C3C=C(C/C=C(\C)/C)C(OC)=C(OC)C=3)CC(=O)C2=C(O)C=1

Other Databases

HMDB ID
HMDB0040809
CHEBI ID
168817
METABOLOMICS ID
FL2FAFNI0001
PubChem CID
42608012

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 361.90
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 4.33
Molar Refractivity 104.77

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Updated at
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