(R)-octopamine
AlkaPlorer ID: AK010585
Synonym: 'MLS002222303', '104-14-3', '', 'MLS000028414', 'p-Hydroxyphenylethanolamine', '876-04-0', 'SMR000058358', '4-(2R-AMINO-1-HYDROXYETHYL)PHENOL', 'Octopamine', 'MLSMR', '(+,-)-Octopamine hydrochloride'
IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]phenol
Structure
SMILES: NC[C@H](O)C1=CC=C(O)C=C1
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
InChIKey: QHGUCRYDKWKLMG-QMMMGPOBSA-N
Reference
PubChem CID: 440266
CAS: 104-14-3
LOTUS: LTS0102259
SuperNatural Ⅲ: SN0305366-02
NPASS: NPC290566
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus reticulata | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Citrus unshiu | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Citrus natsudaidai | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 153.18099999999998
TPSA？: 66.48
MolLogP？: 0.3843
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 14091.9 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 17782.8 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 1258.9 | nM | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 12589.3 | nM | None |
| Homo sapiens | Nuclear factor NF-kappa-B p105 subunit | Potency | 5011.9 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 15848.9 | nM | None |
| Homo sapiens | Trace amine-associated receptor 1 | EC50 | 1569.0 | nM | 10.1021/acsmedchemlett.1c00527 |
| Homo sapiens | Trace amine-associated receptor 1 | Emax | 116.0 | % | 10.1021/acsmedchemlett.1c00527 |
| Meleagris gallopavo | Erythrocyte beta receptor | Delta G | -5.94 | None | 10.1021/jm00152a017 |