Structure Database (LMSD)

Systematic Name
2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone
Synonyms
LM ID
LMPK12120455
Formula
C25H30O5
Exact Mass
Calculate m/z
410.209325
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)
FVNFXIPJDHVJGE-REZTVBANSA-N
InChi (Click to copy)
InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7,9-10,12,14-15,26,28-30H,4,6,8,11,13H2,1-3H3/b17-7+
SMILES (Click to copy)
C1C=C(O)C(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C=1CCC(=O)C1C(O)=CC(O)=CC=1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0032005
CHEBI ID
176022
METABOLOMICS ID
FL1D1CNI0001
PubChem CID
6449829

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 414.73
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.56
Molar Refractivity 118.32

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Updated at
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