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
C25H38O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

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