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 Online Resources

No spectra information available

Food Sources

NameGroup
CarawayHerbs and Spices PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
CeleriacVegetables, Root vegetables PublicationsShow
Celery stalksVegetables, Other vegetables PublicationsShow
ChervilHerbs and Spices PublicationsShow
DillHerbs and Spices PublicationsShow
FennelHerbs and Spices PublicationsShow
ParsleyHerbs and Spices PublicationsShow
ParsnipVegetables, Root vegetables PublicationsShow

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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