(+)-Octopamine
PubChem CID: 448337
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Octopamine, L-Octopamine, (+)-Octapamine, (+)-Norsynephrine, (S)-p-Octopamine, Octopamine, (+)-, (S)-(+)-Octopamine, 826-01-7, 4-[(1S)-2-amino-1-hydroxyethyl]phenol, (S)-octopamine, UNII-72SH47FL4X, 72SH47FL4X, CHEBI:44808, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, CHEMBL1235033, Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, (alphaS)-, OTS, S-OCTOPAMINE, OCTOPAMINE, (S)-, SCHEMBL3489184, BDBM50581603, PD070624, EN300-1870049, (alphaS)-alpha-(Aminomethyl)-4-hydroxybenzenemethanol, Q27104540, BENZENEMETHANOL, .ALPHA.-(AMINOMETHYL)-4-HYDROXY-, (.ALPHA.S)- |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(1S)-2-amino-1-hydroxyethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | -1.1 |
| Molecular Formula | C8H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHGUCRYDKWKLMG-MRVPVSSYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.256 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.054 |
| Compound Name | (+)-Octopamine |
| 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 |
| Esol | -0.5006081636363635 |
| Inchi | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m1/s1 |
| Smiles | C1=CC(=CC=C1[C@@H](CN)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 Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients