Structure Database (LMSD)

O O OH OH O
Common Name
Pongachalcone II
Systematic Name
Synonyms
LM ID
LMPK12120083
Formula
C21H20O5
Exact Mass
Calculate m/z
352.131075
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)
WNUBZQVPFKTBOZ-QPJJXVBHSA-N
InChi (Click to copy)
InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+
SMILES (Click to copy)
C1=CC(O)=C(OC)C=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1ANP0008
PubChem CID
10712965

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 333.17
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.47
Molar Refractivity 100.38

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Updated at
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