Structure Database (LMSD)

Common Name
Mutisianthol
Systematic Name
Synonyms
LM ID
LMPR0103360001
Status
Active
Exact Mass
Calculate m/z
216.151415
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)
SVNPNOPENVFTBB-JQWIXIFHSA-N
InChi (Click to copy)
InChI=1S/C15H20O/c1-9(2)5-12-6-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-8,10,12,16H,6H2,1-4H3/t10-,12-/m0/s1
SMILES (Click to copy)
C1(O)C=C2[C@@H](C)C[C@H](/C=C(/C)\C)C2=CC=1C

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 1999, 16, 21-38.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mutisia (#41607)
Magnoliopsida (#3398)
Natural sesquiterpenoids,
Nat Prod Rep, 1999

Other Databases

Wikipedia
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 230.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.26
Molar Refractivity 68.05

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Updated at
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