Structure Database (LMSD)

Common Name
Micropine
Systematic Name
6S-((deca-1E,3E,5E-trienyl)-2R-(hydroxymethyl)-piperidin-3R-ol
Synonyms
LM ID
LMSP01080050
Status
Active
Exact Mass
Calculate m/z
265.204179
Formula
Abbrev


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)
YVWVILBCUPRAIC-LKFDHHINSA-N
InChi (Click to copy)
InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-14-11-12-16(19)15(13-18)17-14/h5-10,14-19H,2-4,11-13H2,1H3/b6-5+,8-7+,10-9+/t14-,15-,16-/m1/s1
SMILES (Click to copy)
[C@@H]1(/C=C/C=C/C=C/CCCC)CC[C@@H](O)[C@@H](CO)N1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microcos (#82411)
Magnoliopsida (#3398)
A major piperidine alkaloid from Microcos philippinensis,
Phytochemistry

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 293.66
Topological Polar Surface Area 52.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.46
Molar Refractivity 82.01

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Created at
-
Updated at
21st Dec 2021