Falcarinolone
precursor
Showing entry for Falcarinolone
Identification
- PhytoHub ID
- PHUB001869
- Name
- Falcarinolone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 18089-23-1
- Average Mass
- 258.361
- Monoisotopic Mass
- 258.161979948
- Chemical Formula
- C17H22O2
- IUPAC Name
- (9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
- InChI Key
- STNWZOBISHHDCD-UVTDQMKNSA-N
- InChI Identifier
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-
- SMILES
CCCCCCC\C=C/C(O)C#CC#CC(=O)C=C
- Structure
Structure for Falcarinolone
Calculated Properties
- Solubility (ALOGPS)
- 3.97e-03 g/l
- LogS (ALOGPS)
- -4.81
- LogP (ALOGPS)
- 4.70
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 11
- Polar Surface Area
- 37.3
- Refractivity
- 81.93409999999999
- Polarizability
- 31.726846078918232
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.5708629485243377
- pKa (strongest acidic)
- 13.234881233369144
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 6442185
- HMDB
- HMDB0037645
- PeakForestCompound
- 000920
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 alcohols
- Direct Parent Name
- Fatty alcohols
- Alternative Parent Names
- ["Acryloyl compounds", "Enones", "Hydrocarbon derivatives", "Ketones", "Organic oxides", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Acryloyl-group", "Alcohol", "Aliphatic acyclic compound", "Alpha,beta-unsaturated ketone", "Carbonyl group", "Enone", "Fatty alcohol", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Caraway | Herbs and Spices | Publications | Show | |
| Carrot | Vegetables, Root vegetables | Publications | Show | |
| Celeriac | Vegetables, Root vegetables | Publications | Show | |
| Parsley | Herbs and Spices | Publications | Show | |
| Parsnip | Vegetables, Root vegetables | 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