UCSF

ZINC00388198

Draw Identity 99% 90% 80% 70%

Substance Information

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]

Other Names:

()-Octopamine hydrochloride

(+,-)-Octopamine HCl

(+,-)-Octopamine hydrochloride

(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;Octopamine;p-Hydroxyph

(¡À)-Octopamine hydrochloride

(±)-1-(4-Hydroxyphenyl)-2-amino_ethanol hydrochloride

(±)-Octopamine hydrochloride

pamine

1-(4-Hydroxyphenyl)-2-aminoethanol hydrochloride; Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride; Benzyl alcohol, alpha-(aminomethyl)-p-hydroxy-, hydrochloride; LS-42694; Octopamine hydrochloride

1-(4-Hydroxyphenyl)-2-aminoethanol; 104-14-3; C04227; Octopamine; p-Hydroxyphenylethanolamine

1-(4-hydroxyphenyl)-2-aminoethanol; 104-14-3; CPD-58; D,L-Octopamine; Octopamine; p-Hydroxyphenylethanolamine

1-(4-hydroxyphenyl)-2-aminoethanol; 2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium; 4-(2-ammonio-1-hydroxyethyl)phenol; 4-(2-azaniumyl-1-hydroxyethyl)phenol; octopaminium cation; octopaminium(1+)

1-(p-hydroxyphenyl)-2-aminoethanol; Octopamin; alpha-(aminomethyl)-4-hydroxybenzenemethanol; alpha-(aminomethyl)-p-hydroxybenzyl alcohol; beta-hydroxytyramine; norsynephrine; octopaminum

2-Hydroxy-2-(4-hydroxyphenyl)ethanaminium chloride

4-(2-amino-1-hydroxyethyl)phenol

4-(2-amino-1-hydroxyethyl)phenol hydrochloride

770-05-8; D00178; Octopamine hydrochloride (JAN)

alpha-(Aminomethyl)-4-hydroxybenzyl alcohol hydrochloride

benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride

CHEBI:25655; CHEBI:571; CHEBI:11191

Dl-octopamine hydrochloride

Dl-octopamine, HCl

INN)

MFCD00012881

MFCD00044589

MI)

N/A

ND-50

Norsynephrine hydrochloride;Octopamine hydrochloride

octopamine

Octopamine (INN

Octopamine (MI

Octopamine HCl

Octopamine hydrochloride, 98.5%+

octopaminium

p-Octopamine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 -2.59 -48.05 5 3 1 68 154.189 2 ↓
Hi High (pH 8-9.5) -0.55 -2.98 -5.39 4 3 0 66 153.181 2 ↓

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Ligand-gated ion channel transport

Analogs ( Draw Identity 99% 90% 80% 70% )