4-[(1R)-2-amino-1-hydroxyethyl]phenol
PubChem CID: 440266
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| Compound Synonyms | (R)-octopamine, D-Octopamine, 4-[(1R)-2-amino-1-hydroxyethyl]phenol, (R)-p-Octopamine, 876-04-0, D-(-)-Octopamine, Octopamine, (-)-, p-Octopamine, Octopamine d(-)-form [MI], p-Hydroxyphenylethanolamine, dl-Octopamine, UNII-H1P36W1J84, CHEBI:44715, H1P36W1J84, Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, (alphaR)-, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, CHEMBL1160703, 4-Octopamine, 2-Amino-1-(4-hydroxyphenyl)ethanol, Racemic octopamine, (RS)-Octopamine, (-)-octopamine, OTR, R-OCTOPAMINE, 4-Hydroxyphenethanolamine, Lopac-O-0250, CAS-770-05-8, OCTOPAMINE, (R)-, SCHEMBL1650462, QHGUCRYDKWKLMG-QMMMGPOBSA-N, DTXSID901317465, BDBM50581602, NCGC00015760-01, NCGC00015760-02, NCGC00016538-01, NS00003618, C04227, EN300-1848527, Q27104536, BENZENEMETHANOL, .ALPHA.-(AMINOMETHYL)-4-HYDROXY-, (.ALPHA.R)- |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Description | Alkaloid from leaves of tabasco pepper (Capsicum frutescens), nutgrass (Cyperus rotundus) and leaves or fruit of Citrus subspecies Occurs in many animal tissues, found in high concs. in octopus Octopamine, also known as beta,4-dihydroxyphenethylamine, is an endogenous biogenic amine that is closely related to norepinephrine, and has effects on the adrenergic and dopaminergic systems. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P08913, P18089, n.a., P19838, P16473, Q16665, O97447, P15917, Q99700 |
| Iupac Name | 4-[(1R)-2-amino-1-hydroxyethyl]phenol |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Target Id | NPT163, NPT210, NPT211 |
| Xlogp | -1.1 |
| Superclass | Benzenoids |
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Molecular Formula | C8H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHGUCRYDKWKLMG-QMMMGPOBSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.714 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -0.438 |
| Synonyms | R-Octopamine, 4-(2R-AMINO-1-hydroxyethyl)phenol, Octopamine, p-Hydroxyphenylethanolamine, 1-(4-Hydroxyphenyl)-2-aminoethanol, (RS)-Octopamine, 1-(P-Hydroxyphenyl)-2-aminoethanol, 2-amino-1-(4-Hydroxyphenyl)ethanol, 4-Hydroxyphenethanolamine, 4-[2-amino-1-Hydroxyethyl]phenol, Analet, DL-Octopamine, ND 50, Norden, Norphen, Norsympathol, Norsympatol, Norsynephrine, Norton, Racemic octopamine, alpha-(Aminoethyl)-4-hydroxybenzenemethanol, 4-Octopamine, Para-octopamine, p-Octopamine |
| Compound Name | 4-[(1R)-2-amino-1-hydroxyethyl]phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 153.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 153.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -0.4943585636363634 |
| Inchi | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 |
| Smiles | C1=CC(=CC=C1[C@H](CN)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 Annona Reticulata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aristolochia Reticulata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Citrus Acida (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Citrus Aurantifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Bergamia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Citrus Chachiensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Citrus Decumana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Citrus Erythrosa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Citrus Funadoko (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Citrus Glauca (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Citrus Grandis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Citrus Hassaku (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Citrus Hybr (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Citrus Hystrix (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Citrus Indica (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Citrus Jambhiri (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Citrus Junos (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Citrus Latifolia (Plant) Rel Props:Reference: - 22. Outgoing r'ship
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FOUND_INto/from Citrus Mitis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Citrus Nobilis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Citrus Pennivesiculata (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Citrus Pseudolimon (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Citrus Reshni (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Citrus Reticulate (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Citrus Rugulosa (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Citrus Sudachii (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Citrus Tachibana (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Citrus Tamurana (Plant) Rel Props:Reference: - 41. Outgoing r'ship
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FOUND_INto/from Citrus Tankan (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Citrus X (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Citrus Yuko (Plant) Rel Props:Reference: - 49. Outgoing r'ship
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