Identification

PhytoHub ID
PHUB001869
Name
Falcarinolone
Synonyms
Not Available
CAS Number
18089-23-1
Average Mass
258.3554
Monoisotopic Mass
258.161979948
Chemical Formula
C17H22O2
IUPAC Name
(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
InChI Key
STNWZOBISHHDCD-UVTDQMKNSA-N
InChI Identifier
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-
SMILES
CCCCCCC\C=C/C(O)C#CC#CC(=O)C=C
Structure

Calculated Properties

Solubility (ALOGPS)
3.97e-03 g/l
LogS (ALOGPS)
-4.81
LogP (ALOGPS)
4.70
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
11
Polar Surface Area
37.3
Refractivity
81.9341
Polarizability
32.08102827795187
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.5708629485243373
pKa (strongest acidic)
13.23488123336914
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Taxonomy

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
ParsleyHerbs and Spices PublicationsShow
ParsnipVegetables, Root vegetables PublicationsShow

Metabolism

No metabolism information available

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