Structure Database (LMSD)

Common Name
Cupressuflavone
Systematic Name
Synonyms
  • 8,8''-biapigenin
LM ID
LMPK12040010
Status
Active
Exact Mass
Calculate m/z
538.09
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LADPNODMUXOPRG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)23-11-21(37)25-17(33)9-19(35)27(29(25)39-23)28-20(36)10-18(34)26-22(38)12-24(40-30(26)28)14-3-7-16(32)8-4-14/h1-12,31-36H
SMILES (Click to copy)
C12C(=O)C=C(C3=CC=C(O)C=C3)OC=1C(C1C3OC(C4C=CC(O)=CC=4)=CC(=O)C=3C(O)=CC=1O)=C(O)C=C2O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 6
Aromatic Rings 6
Rotatable Bonds 3
Van der Waals Molecular Volume 433.66
Topological Polar Surface Area 181.80
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 6.93
Molar Refractivity 145.04

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Created at
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Updated at
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