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

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