precursor

Showing entry for Phytuberin

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][[email protected]]1(CC[[email protected]@]2(C)CO[[email protected]]3(C)C=CO[[email protected]]23C1)C(C)(C)OC(C)=O
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D 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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