Structure Database (LMSD)

Common Name
5-(heptadeca-9E,11Z,16-trienyl)resorcinol
Systematic Name
5-(heptadeca-9E,11Z,16-trienyl)benzene-1,3-diol
Synonyms
  • 5-heptadeca-9'E,11'Z,16-trienylresorcinol
LM ID
LMPK15030062
Formula
C23H34O2
Exact Mass
Calculate m/z
342.25588
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
CRWZHBSCOWOZJQ-NMMTYZSQSA-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/h2,6-9,18-20,24-25H,1,3-5,10-17H2/b7-6-,9-8+
SMILES (Click to copy)
C1(CCCCCCCC/C=C/C=C\CCCC=C)=CC(O)=CC(O)=C1

Other Databases

PubChem CID
11695842

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

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Created at
10th Mar 2024
Updated at
10th Mar 2024