Structure Database (LMSD)

Systematic Name
4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120522
Formula
C25H30O5
Exact Mass
Calculate m/z
410.209325
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)
YVGQVBTVRWWNNS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(12-19(25(18)30)9-6-16(3)4)7-10-21(27)24-22(28)13-20(26)14-23(24)29/h5-6,11-14,26,28-30H,7-10H2,1-4H3
SMILES (Click to copy)
C1C(C/C=C(\C)/C)=C(O)C(C/C=C(\C)/C)=CC=1CCC(=O)C1C(O)=CC(O)=CC=1O

Other Databases

METABOLOMICS ID
FL1DAANI0001
PubChem CID
42607697

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 414.73
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.34
Molar Refractivity 118.46

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Updated at
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