Structure Database (LMSD)

HO OH
Common Name
Bilobol
Systematic Name
(Z)-5-(pentadec-8-en-1-yl)benzene-1,3-diol
Synonyms
  • 5-Pentadecenylresorcinol
  • 5-[(Z)-Pentadec-8-enylo]resorcinol
LM ID
LMPK15030001
Formula
C21H34O2
Exact Mass
Calculate m/z
318.25588
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
TUGAUFMQYWZJAB-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-
SMILES (Click to copy)
C1(O)C=C(CCCCCCC/C=C\CCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Alkylresorcinols in fruit pulp and leaves of Ginkgo biloba L.,
Z Naturforsch C J Biosci, 2000
Pubmed ID: 11204190

Other Databases

Wikipedia
Bilobol
KEGG ID
C10770
CHEBI ID
3104
PubChem CID
5281852

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 355.62
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.51
Molar Refractivity 99.08

Admin

Created at
-
Updated at
4th May 2021