Phytuberin
precursor
Showing entry for Phytuberin
Identification
- PhytoHub ID
- PHUB000143
- Name
- Phytuberin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 294.391
- Monoisotopic Mass
- 294.183109317
- Chemical Formula
- C17H26O4
- IUPAC Name
- 2-[(1R,5R,8S,11R)-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0^{1,5}]dodec-3-en-11-yl]propan-2-yl acetate
- 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
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
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Precursor
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Damaged potato | Vegetables, Tubers | Publications | Show |
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No inter-individual variations available