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
Similar Structures

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 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

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