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 Phytohub
Food Sources
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