Oenanthetol acetate
precursor
Showing entry for Oenanthetol acetate
Identification
- PhytoHub ID
- PHUB001864
- Name
- Oenanthetol acetate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 284.399
- Monoisotopic Mass
- 284.177630013
- Chemical Formula
- C19H24O2
- IUPAC Name
- (2E,8E,10E)-heptadeca-2,8,10-trien-4,6-diyn-1-yl acetate
- InChI Key
- DYZRQRYBGTXIBN-LXIBMNCBSA-N
- InChI Identifier
InChI=1S/C19H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h8-11,16-17H,3-7,18H2,1-2H3/b9-8+,11-10+,17-16+
- SMILES
CCCCCC\C=C\C=C\C#CC#C\C=C\COC(C)=O
- Structure
Structure for Oenanthetol acetate
Calculated Properties
- Solubility (ALOGPS)
- 2.33e-03 g/l
- LogS (ALOGPS)
- -5.09
- LogP (ALOGPS)
- 6.05
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 12
- Polar Surface Area
- 26.3
- Refractivity
- 93.018
- Polarizability
- 36.454539479587254
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.004480795618578
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Not Available
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Fatty Acyls
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Fatty alcohol esters
- Direct Parent Name
- Fatty alcohol esters
- Alternative Parent Names
- ["Carbonyl compounds", "Carboxylic acid esters", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Aliphatic acyclic compound", "Carbonyl group", "Carboxylic acid derivative", "Carboxylic acid ester", "Fatty alcohol ester", "Hydrocarbon derivative", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Dill | Herbs and Spices | Publications | Show |
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