(R)-synephrine
PubChem CID: 6951208
Connections displayed (default: 10).
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| Compound Synonyms | (R)-synephrine, D-synephrine(1+), [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium, D-(-)-synephrine, (R)-synephrine(1+), D-(-)-synephrine(1+), CHEBI:63694, Q27132731, (2R)-2-hydroxy-2-(4-hydroxyphenyl)-N-methylethanaminium |
|---|---|
| Topological Polar Surface Area | 57.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C9H14NO2+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRCWQPVGYLYSOX-VIFPVBQESA-O |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.922 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.079 |
| Compound Name | (R)-synephrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.102 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 168.102 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6643391999999999 |
| Inchi | InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1 |
| Smiles | C[NH2+]C[C@@H](C1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients