LIPID MAPS

Structure Database (LMSD)

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Common Name

5-(heptadeca-8Z,11Z,16-trien-1-yl)resorcinol

Systematic Name

5-(heptadeca-8Z,11Z,16-trien-1-yl)benzene-1,3-diol

Synonyms

5-heptadeca-8'Z,11'Z,16-trienylresorcinol

LM ID

LMPK15030061

Formula

C₂₃H₃₄O₂

Exact Mass

Calculate m/z

342.25588

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MFQASGNLRRKBQG-HZJYTTRNSA-N

InChi (Click to copy)

InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h2,6-7,9-10,18-20,24-25H,1,3-5,8,11-17H2/b7-6-,10-9-

SMILES (Click to copy)

C(CCCCCC/C=C\C/C=C\CCCC=C)C1=CC(O)=CC(O)=C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Merulius incarnatus (#1045806)

Agaricomycetes (#155619)

5-alkylresorcinols from Merulius incarnatus.,
J Nat Prod, 2006

Pubmed ID: 16643059

Other Databases

PubChem CID

11573713

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 384.94

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 6.84

Molar Refractivity 108.12

Admin

Created at

10th Mar 2024

Updated at