precursor

Showing entry for 5-Pentadecenylresorcinol

Identification

PhytoHub ID
PHUB002591
Name
5-Pentadecenylresorcinol
Systematic Name
(Z)-5-(pentadec-8-en-1-yl)benzene-1,3-diol
Synonyms
  • Bilobol
  • Cardol monoene
  • Resorcinol, 5-(8-pentadecenyl)-, (Z)-
  • Trifurcatol A2
CAS Number
22910-86-7
Average Mass
318.501
Monoisotopic Mass
318.255880335
Chemical Formula
C21H34O2
IUPAC Name
5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
InChI Key
TUGAUFMQYWZJAB-FPLPWBNLSA-N
InChI Identifier
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
CCCCCC\C=C/CCCCCCCC1=CC(O)=CC(O)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.32e-04 g/l
LogS (ALOGPS)
-5.98
LogP (ALOGPS)
8.00
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
13
Polar Surface Area
40.46
Refractivity
100.59159999999999
Polarizability
40.70767148541414
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.665057916048886
pKa (strongest acidic)
9.359032641616453
Number of Rings
1
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Alkylresorcinols
Sub-class
Not Available

Spectra from Phytohub

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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