Structure Database (LMSD)

Common Name
Farfugin A
Systematic Name
Synonyms
LM ID
LMPR0103220001
Status
Active
Exact Mass
Calculate m/z
214.135765
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)
QUNSESJRLJEVEV-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-15(14(9)12)11(3)8-16-13/h7-9H,4-6H2,1-3H3/t9-/m0/s1
SMILES (Click to copy)
C1CC2C(C)=CC3OC=C(C)C=3C=2[C@@H](C)C1

References

Reference
Bulletin of the Chemical Society of Japan, 1977, Vol.50 , No.2, 463-465.

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 207.41
Topological Polar Surface Area 13.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.49
Molar Refractivity 67.04

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Created at
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Updated at
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