Structure Database (LMSD)

Systematic Name
2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120486
Formula
C25H30O4
Exact Mass
Calculate m/z
394.21441
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)
LHAWAPWIXXDHPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O4/c1-16(2)10-13-19-23(27)20(14-11-17(3)4)25(29)22(24(19)28)21(26)15-12-18-8-6-5-7-9-18/h5-11,27-29H,12-15H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1C/C=C(\C)/C

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0133050
METABOLOMICS ID
FL1DA9NI0005
PubChem CID
42607680

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 405.94
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.64
Molar Refractivity 116.80

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Updated at
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