Structure Database (LMSD)

Common Name
Dihydropashanone
Systematic Name
Synonyms
LM ID
LMPK12120555
Formula
C17H18O5
Exact Mass
Calculate m/z
302.115425
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)
JIPRVIMCAIKNJN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H18O5/c1-21-14-10-13(19)15(16(20)17(14)22-2)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3
SMILES (Click to copy)
C1(OC)C(OC)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1

Other Databases

HMDB ID
HMDB0133984
METABOLOMICS ID
FL1DE9NS0001
PubChem CID
179533

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 281.61
Topological Polar Surface Area 75.99
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.93
Molar Refractivity 81.97

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Updated at
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