precursor

Showing entry for Persenone A

Identification

PhytoHub ID
PHUB002582
Name
Persenone A
Systematic Name
Not Available
Synonyms
  • (5E,12Z,15Z)-2-Hydroxy-4-oxo-5,12,15-henicosatrien-1-yl acetate
  • 1,2-Dihydroxy-5,12,15-heneicosatrien-4-one; (2ΞΎ,5E,12Z,15Z)-form, 1-Ac
  • 5,6-Didehydropersin
CAS Number
215117-03-6
Average Mass
378.553
Monoisotopic Mass
378.277009704
Chemical Formula
C23H38O4
IUPAC Name
(5E,12Z,15Z)-2-hydroxy-4-oxohenicosa-5,12,15-trien-1-yl acetate
InChI Key
YLWJMUPPJKELEC-GQQAEKEGSA-N
InChI Identifier
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+
SMILES
 CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)CC(O)COC(C)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.88e-04 g/l
LogS (ALOGPS)
-6.12
LogP (ALOGPS)
6.04
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
18
Polar Surface Area
63.6
Refractivity
114.67879999999997
Polarizability
45.452074447255455
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.124722545134475
pKa (strongest acidic)
14.254857491616347
Number of Rings
0
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Miscellaneous phytochemicals
Class
Fatty acids and lipids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
AvocadoVegetables, Fruit vegetables PublicationsShow

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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