Cyclo(pro-leu)
precursor
Showing entry for Cyclo(pro-leu)
Identification
- PhytoHub ID
- PHUB002524
- Name
- Cyclo(pro-leu)
- Systematic Name
- Not Available
- Synonyms
- Cyclo(leucylprolyl)
- Gancidin W
- Hexahydro-3-(2-methylpropyl)pyrrolo[1,2a]pyrazine-1,4-dione
- CAS Number
- 5654-86-4, 2873-36-1
- Average Mass
- 210.277
- Monoisotopic Mass
- 210.136827828
- Chemical Formula
- C11H18N2O2
- IUPAC Name
- Not Available
- InChI Key
- SZJNCZMRZAUNQT-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)
- SMILES
CC(C)CC1NC(=O)C2CCCN2C1=O
- Structure
Structure for Cyclo(pro-leu)
Calculated Properties
- Solubility (ALOGPS)
- 4.46e+01 g/l
- LogS (ALOGPS)
- -0.67
- LogP (ALOGPS)
- 0.21
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Coffee | Coffee and coffee products | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available