Synephrine
precursor
Showing entry for Synephrine
Identification
- PhytoHub ID
- PHUB002331
- Name
- Synephrine
- Systematic Name
- Not Available
- Synonyms
- Analeptin
- Oxedrine
- p-Synephrine
- Parasympatol
- Sympaethamine
- Synefrine
- CAS Number
- 94-07-5
- Average Mass
- 167.208
- Monoisotopic Mass
- 167.094628663
- Chemical Formula
- C9H13NO2
- IUPAC Name
- 4-[1-hydroxy-2-(methylamino)ethyl]phenol
- InChI Key
- YRCWQPVGYLYSOX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
- SMILES
CNCC(O)C1=CC=C(O)C=C1
- Structure
Structure for Synephrine
Calculated Properties
- Solubility (ALOGPS)
- 1.86e+01 g/l
- LogS (ALOGPS)
- -0.95
- LogP (ALOGPS)
- -0.62
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 52.489999999999995
- Refractivity
- 47.249399999999994
- Polarizability
- 17.970003658738115
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 9.14815345799689
- pKa (strongest acidic)
- 9.755471273972516
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Miscellaneous alkaloids
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Alkaloid metabolites
- Metabolite Sub-class
- Miscellaneous alkaloid metabolites
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Sweet orange | Fruit, Citrus | Publications | Show |
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Synephrine | Synephrine sulfate | human | urine | host metabolism | Not Available | Not Available | Not Available | C9H13NO5S | Detailed Intervention Studies | Publications | |||
| Synephrine | Synephrine glucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C15H21NO8 | Detailed Intervention Studies | ||||
| Synephrine | Synephrine hydrogen sulfate | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C9H14NO5S | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|