Persenone B
precursor
Showing entry for Persenone B
Identification
- PhytoHub ID
- PHUB002583
- Name
- Persenone B
- Systematic Name
- Not Available
- Synonyms
- 1,2-Dihydroxy-5-heneicosen-4-one; (2ΞΎ,5E)-form, 1-Ac
- 2-Hydroxy-4-oxononadeca-5-en-1-yl-acetate
- CAS Number
- 215117-09-2
- Average Mass
- 354.531
- Monoisotopic Mass
- 354.277009704
- Chemical Formula
- C21H38O4
- IUPAC Name
- (5E)-2-hydroxy-4-oxononadec-5-en-1-yl acetate
- InChI Key
- DSLYZXQQSWFUHY-FOCLMDBBSA-N
- InChI Identifier
InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)17-21(24)18-25-19(2)22/h15-16,21,24H,3-14,17-18H2,1-2H3/b16-15+
- SMILES
CCCCCCCCCCCCC\C=C\C(=O)CC(O)COC(C)=O
- Structure
Structure for Persenone B
Calculated Properties
- Solubility (ALOGPS)
- 5.78e-04 g/l
- LogS (ALOGPS)
- -5.79
- LogP (ALOGPS)
- 6.14
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 18
- Polar Surface Area
- 63.6
- Refractivity
- 103.24359999999997
- Polarizability
- 44.21270751741004
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.124722545134475
- pKa (strongest acidic)
- 14.25485749161544
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Fatty acids and lipids
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Not Available
- Metabolite Class
- Not Available
- Metabolite Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Avocado | Vegetables, Fruit vegetables | Publications | Show |
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
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