Structure Database (LMSD)

Common Name
Skullcapflavone II
Systematic Name
Synonyms
  • Neobaicalein
LM ID
LMPK12111423
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
GMQFOKBGMKVUQZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(O)=CC=CC=3OC)=CC(=O)C=2C(O)=C1OC

Other Databases

KEGG ID
C10183
CHEBI ID
9061
METABOLOMICS ID
FL3FG8NS0001
PubChem CID
124211

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

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Updated at
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