Structure Database (LMSD)

Common Name
Piperaduncin A
Systematic Name
Synonyms
LM ID
LMPK12120474
Formula
C29H30O7
Exact Mass
Calculate m/z
490.199155
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)
UWDJCYWVPNETPR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H30O7/c1-17(2)14-21(20-15-19(29(34)36-4)11-13-22(20)30)26-25(35-3)16-24(32)27(28(26)33)23(31)12-10-18-8-6-5-7-9-18/h5-9,11,13-16,21,30,32-33H,10,12H2,1-4H3
SMILES (Click to copy)
C1(OC)C(C(C=C(C)C)C2C=C(C(=O)OC)C=CC=2O)=C(O)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1

Other Databases

CHEBI ID
185620
METABOLOMICS ID
FL1DA9NC0008
PubChem CID
10480725

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 10
Van der Waals Molecular Volume 470.33
Topological Polar Surface Area 113.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.51
Molar Refractivity 136.14

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Updated at
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