4-[(R)-hydroxy(methylaminomethoxy)methyl]phenol
PubChem CID: 162789593
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| Topological Polar Surface Area | 61.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Description | A widely distributed alkaloid, occurs in citrus leaves and juice and other plants R-Synephrine is the form found in nature. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P08913, P18089 |
| Iupac Name | 4-[(R)-hydroxy(methylaminomethoxy)methyl]phenol |
| Nih Violation | True |
| Class | Benzene and substituted derivatives |
| Xlogp | 0.3 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Benzyl alcohols |
| Molecular Formula | C9H13NO3 |
| Inchi Key | GBBBJHCSNNEWLH-SECBINFHSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (+)-[(Methylamino)methyl]-benzenemethano, (+)-P-Synephrine, (+)-Synephrine, (+/-)-synephrine, 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol, 1-(4-Hydroxyphenyl)-2-methylaminoethanol, 4-Hydroxy-a-[(methylamino)methyl]benzenemethanol, 4-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol, 4-Hydroxy-α-[(methylamino)methyl]benzenemethanol, b-Methylamino-a-(4-hydroxyphenyl)ethyl alcohol, beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol, L-Synephrine, Oxedrine, P-Hydroxy-a-[(methylamino)methyl]benzyl alcohol, P-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, P-Hydroxy-α-[(methylamino)methyl]benzyl alcohol, p-Synephrine, Parasympatol, R-(-)-Synephrine, Simpatol, Sympaethamin, Sympaethamine, Sympatol, Synephrine, β-methylamino-α-(4-hydroxyphenyl)ethyl alcohol |
| Substituent Name | Benzyl alcohol, Aralkylamine, Phenol, Secondary alcohol, 1,2-aminoalcohol, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aromatic homomonocyclic compound |
| Compound Name | 4-[(R)-hydroxy(methylaminomethoxy)methyl]phenol |
| Kingdom | Organic compounds |
| Exact Mass | 183.09 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 183.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 183.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H13NO3/c1-10-6-13-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m1/s1 |
| Smiles | CNCO[C@H](C1=CC=C(C=C1)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all