Falcarindiol
precursor
Showing entry for Falcarindiol
Identification
- PhytoHub ID
- PHUB001862
- Name
- Falcarindiol
- Systematic Name
- Not Available
- Synonyms
- Falcalindiol
- CAS Number
- 55297-87-5
- Average Mass
- 260.377
- Monoisotopic Mass
- 260.177630013
- Chemical Formula
- C17H24O2
- IUPAC Name
- (3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
- InChI Key
- QWCNQXNAFCBLLV-YWALDVPYSA-N
- InChI Identifier
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
- SMILES
CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.39e-03 g/l
- LogS (ALOGPS)
- -4.55
- LogP (ALOGPS)
- 4.40
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 11
- Polar Surface Area
- 40.46
- Refractivity
- 82.6257
- Polarizability
- 32.385974847211145
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.4532485953458125
- pKa (strongest acidic)
- 13.025443773649998
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
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
- Long-chain fatty alcohols
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["Alcohol", "Aliphatic acyclic compound", "Hydrocarbon derivative", "Long chain fatty alcohol", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol"]
Spectra from Phytohub
Food Sources
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