LIPID MAPS

Structure Database (LMSD)

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Systematic Name

5-((8Z,11Z,14Z)-nonadeca-8,11,14-trienyl) resorcinol

Synonyms

LM ID

LMPK15030051

Formula

C₂₅H₃₈O₂

Exact Mass

Calculate m/z

370.28718

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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

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

Other Databases

PubChem CID

171119085

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

Admin

Created at

3rd Dec 2020

Updated at