Structure Database (LMSD)

Systematic Name
3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120591
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)
MEQYBBPXPMXGBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O5/c1-16(2)10-12-19-22(27)21(20(26)13-11-18-8-6-5-7-9-18)24(29)25(30,23(19)28)15-14-17(3)4/h5-10,14,27-28,30H,11-13,15H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)(O)C(=O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL1DQUNI0001
PubChem CID
14527030

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 425.63
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.13
Molar Refractivity 117.64

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Updated at
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