Guvacine
precursor
Showing entry for Guvacine
Identification
- PhytoHub ID
- PHUB000841
- Name
- Guvacine
- Systematic Name
- Not Available
- Synonyms
- 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
- 1,2,5,6-tetrahydronicotinic acid
- CAS Number
- 498-96-4
- Average Mass
- 127.143
- Monoisotopic Mass
- 127.063328534
- Chemical Formula
- C6H9NO2
- IUPAC Name
- 1,2,5,6-tetrahydropyridine-3-carboxylic acid
- InChI Key
- QTDZOWFRBNTPQR-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
- SMILES
OC(=O)C1=CCCNC1
- Structure
Structure for Guvacine
Calculated Properties
- Solubility (ALOGPS)
- 3.08e+01 g/l
- LogS (ALOGPS)
- -0.62
- LogP (ALOGPS)
- -2.24
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 49.33
- Refractivity
- 33.7972
- Polarizability
- 12.847179589380715
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.767888308840712
- pKa (strongest acidic)
- 3.571960410080911
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Pyrrolidine and piperidine alkaloids
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Alkaloid metabolites
- Metabolite Sub-class
- Pyrrolidines and piperidines (parent, host and microbial metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Guvacine | N-containing compounds | Alkaloids | Pyrrolidine and piperidine alkaloids | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Not Available
- Super-class
- Alkaloids and derivatives
- Sub-class
- Not Available
- Direct Parent Name
- Alkaloids and derivatives
- Alternative Parent Names
- ["Amino acids", "Azacyclic compounds", "Carbonyl compounds", "Carboxylic acids", "Dialkylamines", "Hydrocarbon derivatives", "Hydropyridines", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds"]
- External Descriptor Annotations
- ["Pyridine alkaloids", "alpha,beta-unsaturated monocarboxylic acid", "beta-amino acid", "pyridine alkaloid", "secondary amino compound", "tetrahydropyridine"]
- Substituent Names
- ["Aliphatic heteromonocyclic compound", "Alkaloid or derivatives", "Amine", "Amino acid", "Amino acid or derivatives", "Azacycle", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Hydrocarbon derivative", "Hydropyridine", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Secondary aliphatic amine", "Secondary amine"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Areca nut | Nuts | Publications | Show |
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Guvacine | Areca nut | Nuts | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Guvacine | Guvacine | human | saliva, urine | unchanged | 1h-3h | Not Available | Not Available | C6H9NO2 | 127.063328534 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|