Structure Database (LMSD)

Common Name
Karanjachromene
Systematic Name
Synonyms
  • Pongaflavone
LM ID
LMPK12111544
Formula
C21H18O4
Exact Mass
Calculate m/z
334.12051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QCLBGWSAIHOGCA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O4/c1-21(2)12-11-14-16(25-21)10-9-15-17(22)20(23-3)18(24-19(14)15)13-7-5-4-6-8-13/h4-12H,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)=C(OC)C(=O)C=1C=C2

Other Databases

Wikipedia
Karanjachromene
METABOLOMICS ID
FL5F19NP0001
PubChem CID
14033983

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 301.12
Topological Polar Surface Area 50.74
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.84
Molar Refractivity 98.83

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Updated at
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