Structure Database (LMSD)

Systematic Name
3-Geranyl-4,2',4'-trihydroxydihydrochalcone
Synonyms
LM ID
LMPK12120449
Formula
C25H30O4
Exact Mass
Calculate m/z
394.21441
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)
HCPVBSCLUKCMAC-CNHKJKLMSA-N
InChi (Click to copy)
InChI=1S/C25H30O4/c1-17(2)5-4-6-18(3)7-10-20-15-19(8-13-23(20)27)9-14-24(28)22-12-11-21(26)16-25(22)29/h5,7-8,11-13,15-16,26-27,29H,4,6,9-10,14H2,1-3H3/b18-7+
SMILES (Click to copy)
C1C=C(O)C(C/C=C(\C)/CC/C=C(\C)/C)=CC=1CCC(=O)C1C(O)=CC(O)=CC=1

Other Databases

METABOLOMICS ID
FL1D1ANI0002
PubChem CID
42607670

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 405.94
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.85
Molar Refractivity 116.66

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Updated at
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