Falcarinol
precursor
Showing entry for Falcarinol
Identification
- PhytoHub ID
- PHUB001863
- Name
- Falcarinol
- Systematic Name
- Not Available
- Synonyms
- (3R,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
- Panaxynol
- CAS Number
- 21852-80-2
- Average Mass
- 244.378
- Monoisotopic Mass
- 244.182715393
- Chemical Formula
- C17H24O
- IUPAC Name
- (3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
- InChI Key
- UGJAEDFOKNAMQD-QXPKXGMISA-N
- InChI Identifier
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
- SMILES
CCCCCCC\C=C/CC#CC#C[C@H](O)C=C
- Structure
Structure for Falcarinol
Calculated Properties
- Solubility (ALOGPS)
- 3.18e-03 g/l
- LogS (ALOGPS)
- -4.89
- LogP (ALOGPS)
- 5.78
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 11
- Polar Surface Area
- 20.23
- Refractivity
- 81.2642
- Polarizability
- 31.554960622265504
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.5470119509626676
- pKa (strongest acidic)
- 13.289410263002589
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Miscellaneous phytochemicals
- 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
- Long-chain fatty alcohols
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- ["Polyynes", "long-chain fatty alcohol"]
- Substituent Names
- ["Alcohol", "Aliphatic acyclic compound", "Hydrocarbon derivative", "Long chain fatty alcohol", "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 | |
| Celery stalks | Vegetables, Other vegetables | Publications | Show | |
| Chervil | Herbs and Spices | Publications | Show | |
| Dill | Herbs and Spices | Publications | Show | |
| Fennel | Herbs and Spices | Publications | Show | |
| Ginseng | Herbs and Spices | 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