Structure Database (LMSD)

Systematic Name
5-((8Z,11Z,14Z)-nonadeca-8,11,14-trienyl) resorcinol
Synonyms
LM ID
LMPK15030051
Status
Active
Exact Mass
Calculate m/z
370.28718
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)
BOLVMMNHMNUMBQ-AGRJPVHOSA-N
InChi (Click to copy)
InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h5-6,8-9,11-12,20-22,26-27H,2-4,7,10,13-19H2,1H3/b6-5-,9-8-,12-11-
SMILES (Click to copy)
C(CCCCCC/C=C\C/C=C\C/C=C\CCCC)C1=CC(O)=CC(O)=C1

References

Reference
Resorcinol derivatives with α-glucosidase inhibitory activities from Syzygium samarangense.
Nat Prod Res, 2020
DOI: 10.1080/14786419.2020.1805606
PMID: 32787570

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Syzygium samarangense (#260143)
Magnoliopsida (#3398)
Resorcinol derivatives with α-glucosidase inhibitory activities from Syzygium samarangense.,
Nat Prod Res, 2020
Pubmed ID: 32787570

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 419.54
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.62
Molar Refractivity 117.36

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Created at
3rd Dec 2020
Updated at
3rd Dec 2020