(+)-Synephrine
PubChem CID: 667452
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Synephrine, (+)-p-Synephrine, l-Synephrine, 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol, (+)-oxedrine, 532-80-9, Oxedrine, (+)-, UNII-73SNV1H5Y5, 73SNV1H5Y5, (S)-SYNEPHRINE, CHEBI:33016, (S)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol, Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (S)-, (+)-p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol, (+)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (+)-, BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, (.ALPHA.S)-, 4-((1S)-1-hydroxy-2-(methylamino)ethyl)phenol, (S)-4-hydroxy-alpha-((methylamino)methyl)benzenemethanol, DTXSID70904723, DTXCID001333832, AKOS037514851, PD132238, NS00098774, Q27115207, BENZENEMETHANOL, 4-HYDROXY-ALPHA-((METHYLAMINO)METHYL)-, (ALPHAS)- |
|---|---|
| Topological Polar Surface Area | 52.5 |
| 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 | 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C9H13NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRCWQPVGYLYSOX-SECBINFHSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.814 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.168 |
| Compound Name | (+)-Synephrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 167.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 167.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6580895999999998 |
| Inchi | InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m1/s1 |
| Smiles | CNC[C@H](C1=CC=C(C=C1)O)O |
| Nring | 10.0 |
| 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