| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 11 | Yes |
Popular Name: Octopamine hydrochloride Octopamine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-14-3 , 5/8/770 , 770-05-8 , [770-05-8]
(+,-)-Octopamine hydrochloride
(±)-1-(4-Hydroxyphenyl)-2-amino_ethanol hydrochloride
2-Hydroxy-2-(4-hydroxyphenyl)ethanaminium chloride
4-(2-amino-1-hydroxyethyl)phenol
4-(2-amino-1-hydroxyethyl)phenol hydrochloride
alpha-(Aminomethyl)-4-hydroxybenzyl alcohol hydrochloride
benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride
CHEBI:25655; CHEBI:571; CHEBI:11191
Norsynephrine hydrochloride;Octopamine hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.55 | -2.67 | -47.53 | 5 | 3 | 1 | 68 | 154.189 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.55 | -3.12 | -5.5 | 4 | 3 | 0 | 66 | 153.181 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | ADA2A_HUMAN; ADA2B_HUMAN; HANG_DROME; OAR1_LOCMI; OAR1_LYMST; OAR2_CAEEL; OAR2_LOCMI; OAR2_LYMST; OAR_BOMMO; OAR_DROME; OAR_HELVI; OAR_PHOPY; OCTB1_DROME; OCTB2_DROME; OCTB3_DROME; SER2_CAEEL; TAAR1_HUMAN; TAAR1_MACMU; TAAR1_MOUSE; TAAR1_PANTR; TAAR1_RAT | ChEBI |
| therap | adrenergic agonist | MicroSource World Drugs |
| Target | Dopamine Receptor | Selleck Chemicals |
| Patent Database Links | EP1568770; EP1815846; EP1829527; EP1829528; US2006110343; US2007207222; US2008255073; WO2005108381; WO2007103687 | ChEBI |
| Therapy | Neurotransmitter | SMDC MicroSource |
| Target | Others | Selleck Chemicals |
| Target | Serotonin N-acetyltransferase(Q16613)&Beta-3 adrenergic receptor(P13945)&Glycogen phosphorylase, liver form(P06737)&Beta-1 adrenergic receptor(P08588)&Beta-2 adrenergic receptor(P07550) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A-5-E | Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic | Eukaryotes | 24 | 0.97 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 24 | 0.97 | Binding ≤ 1μM |
| 5HT3A_HUMAN | P46098 | Serotonin 3a (5-HT3a) Receptor, Human | 24 | 0.97 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ligand-gated ion channel transport |
