cyclo(ser-tyr)
precursor
Showing entry for cyclo(ser-tyr)
Identification
- PhytoHub ID
- PHUB002381
- Name
- cyclo(ser-tyr)
- Systematic Name
- (3S,6S)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
- Synonyms
- Cyclo(-L-Ser-L-Tyr)
- Cyclo(D-seryl-L-tyrosyl)
- Cyclo(seryltyrosyl)
- Cyclo(seryltyrosyl)
- CAS Number
- 21754-31-4
- Average Mass
- 250.254
- Monoisotopic Mass
- 250.095356939
- Chemical Formula
- C12H14N2O4
- IUPAC Name
- (3S,6S)-3-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-3,6-dihydropyrazine-2,5-diol
- InChI Key
- CHYMARRIVIIBNV-UWVGGRQHSA-N
- InChI Identifier
InChI=1S/C12H14N2O4/c15-6-10-12(18)13-9(11(17)14-10)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6H2,(H,13,18)(H,14,17)/t9-,10-/m0/s1
- SMILES
[H][C@@]1(CO)N=C(O)[C@]([H])(CC2=CC=C(O)C=C2)N=C1O
- Structure
Structure for cyclo(ser-tyr)
Calculated Properties
- Solubility (ALOGPS)
- 4.48e-01 g/l
- LogS (ALOGPS)
- -2.75
- LogP (ALOGPS)
- -0.06
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 3
- Polar Surface Area
- 105.64000000000001
- Refractivity
- 63.78180000000001
- Polarizability
- 24.713593047108958
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 4.689112808680595
- pKa (strongest acidic)
- 1.8873929441279054
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 3082196
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- Alpha amino acids and derivatives
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "2,5-dioxopiperazines", "Azacyclic compounds", "Benzene and substituted derivatives", "Carbonyl compounds", "Hydrocarbon derivatives", "Lactams", "Organic oxides", "Organonitrogen compounds", "Primary alcohols", "Secondary carboxylic acid amides"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1,4-diazinane", "1-hydroxy-2-unsubstituted benzenoid", "2,5-dioxopiperazine", "Alcohol", "Alpha-amino acid or derivatives", "Aromatic heteromonocyclic compound", "Azacycle", "Benzenoid", "Carbonyl group", "Carboxamide group", "Dioxopiperazine", "Hydrocarbon derivative", "Lactam", "Monocyclic benzene moiety", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Phenol", "Piperazine", "Primary alcohol", "Secondary carboxylic acid amide"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
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