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
falcarindiol
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/[[email protected]](O)C#CC#C[[email protected]](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 Precursor

Family
Miscellaneous phytochemicals
Class
Not Available
Sub-class
Not Available

Spectra

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

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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