Structure Database (LMSD)

Common Name
(+)-Arnicenone
Systematic Name
Synonyms
LM ID
LMPR0103760001
Status
Active
Exact Mass
Calculate m/z
218.167065
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)
RRCHUAUWSLVPRW-PUPMMZHASA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-10-8-12(16)14(4)11(2)9-13(3)6-5-7-15(10,13)14/h9-10H,5-8H2,1-4H3/t10-,13+,14-,15-/m0/s1
SMILES (Click to copy)
[C@@]123[C@@H](C)CC(=O)[C@]1(C)C(C)=C[C@@]2(C)CCC3

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2002, 19, 650-672.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Arnica (#4246)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2002
Pubmed ID: 12430727

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 234.49
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 65.04

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Updated at
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