Identification

PhytoHub ID
PHUB000143
Name
Phytuberin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
294.391
Monoisotopic Mass
294.183109317
Chemical Formula
C17H26O4
IUPAC Name
phytuberin
InChI Key
YARAJYKHRCCDLG-XLNGHYISSA-N
InChI Identifier
InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1
SMILES
[H][C@]1(CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1)C(C)(C)OC(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
8.24e-03 g/l
LogS (ALOGPS)
-4.55
LogP (ALOGPS)
3.66
Hydrogen Acceptors
3
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
44.760000000000005
Refractivity
79.13919999999999
Polarizability
32.07759516611624
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.11312517597911
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Damaged potatoVegetables, Tubers PublicationsShow

Metabolism

No metabolism information available

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