(-)-Synephrine
PubChem CID: 854067
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| Compound Synonyms | (-)-Synephrine, D-synephrine, 614-35-7, D(-)-Synephrine, (-)-Oxedrine, (-)-Sympatol, 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol, l-Sympatol, Oxedrine, (-)-, Synephrine (R-isomer), (R)-synephrine, Oxedrine ((-)-), UNII-Y276ILP9M0, CHEBI:119, Y276ILP9M0, (-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, (-)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol, CHEMBL443893, 614-35-7 (R-isomer), Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (-)-, (-)-P-Hydroxy-a-[(methylamino)methyl]benzyl alcohol, (-)-4-Hydroxy-a-[(methylamino)methyl]benzenemethanol, (R)-(-)-1-(4-Hydroxyphenyl)-2-(methylamino)ethanol, (-)-p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol, BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (-)-, BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, (.ALPHA.R)-, 4-((1R)-1-Hydroxy-2-(Methylamino)Ethyl)Phenol, (-)-4-Hydroxy-a-((methylamino)methyl)benzenemethanol, (-)-p-Hydroxy-a-((methylamino)methyl)benzyl alcohol, (-)-4-Hydroxy-I+--((methylamino)methyl)benzenemethanol, (-)-4-Hydroxy-I+--[(methylamino)methyl]benzenemethanol, (-)-p-Hydroxy-I+--((methylamino)methyl)benzyl alcohol, (-)-p-Hydroxy-I+--[(methylamino)methyl]benzyl alcohol, 4-((1R)-1-hydroxy-2-(methylazaniumyl)ethyl)phenolate, 4-[(1R)-1-hydroxy-2-(methylazaniumyl)ethyl]phenolate, DTXSID70904723, MFCD00002370, ()-Synephrine, CAS-94-07-5, NCGC00016351-01, Synephrine,(+/-), 4-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol, Lopac-S-0752, SCHEMBL2283013, YRCWQPVGYLYSOX-VIFPVBQESA-N, BDBM50292375, MFCD01732701, AKOS006277053, NCGC00015924-01, NCGC00015924-02, NCGC00015924-07, MS-22914, HY-113236, CS-0059379, Y0012, (R)-4-(1-hydroxy-2-(methylamino)ethyl)phenol, C01869, (R)-4-(1-Hydroxy-2-methylamino-ethyl)-phenol, Q27105248, Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (-)-(9CI), BENZENEMETHANOL, 4-HYDROXY-ALPHA-((METHYLAMINO)METHYL)-, (ALPHAR)- |
|---|---|
| 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;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., B2RXH2, Q16665, P11712, O94925 |
| Iupac Name | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Target Id | NPT48, NPT211, NPT212 |
| Xlogp | -0.6 |
| Superclass | Benzenoids |
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Molecular Formula | C9H13NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRCWQPVGYLYSOX-VIFPVBQESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.922 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.079 |
| Synonyms | (-)-4-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol, (-)-Oxedrine, (-)-p-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol, (-)-Synephrine, (-)-Sympatol, D(-)-Synephrine, (R)-Synephrine, (-)-4-Hydroxy-a-[(methylamino)methyl]benzenemethanol, (-)-4-Hydroxy-α-[(methylamino)methyl]benzenemethanol, (-)-p-Hydroxy-a-[(methylamino)methyl]benzyl alcohol, (-)-p-Hydroxy-α-[(methylamino)methyl]benzyl alcohol |
| Compound Name | (-)-Synephrine |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| 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-/m0/s1 |
| Smiles | CNC[C@@H](C1=CC=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
- 1. Outgoing r'ship
FOUND_INto/from Agnorhiza Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anaxagorea Clavata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Araujia Sericifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aria Pallescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Arnica Nevadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Artemisia Monogyna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Bassia Butyracea (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Beyeria Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Bursaria Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Chloranthus Tianmushanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Chromolaena Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Commiphora Kua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Dendrosenecio Kilimanjari (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Dipterocarpus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Drosera Peltata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Echinops Amplexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Epaltes Gariepina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Ficus Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Gardenia Fosbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Ilex Affinis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Isodon Kameba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Kaempferia Pulchra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Odixia Angusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Prosopis Glandulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Prunus Laurocerasus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Pteris Prolifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Pterocarpus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Quercus Aegilops (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Senecio Squalidus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Seriphidium Cinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Sesbania Punicea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 47. Outgoing r'ship
FOUND_INto/from Simira Eliezeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Taxodium Mucronatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Vitex Madiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all