Octopamine
PubChem CID: 4581
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| Compound Synonyms | octopamine, 104-14-3, Norsynephrine, 4-(2-Amino-1-hydroxyethyl)phenol, Norsympatol, Norsympathol, Norden, Norphen, Octopamina, Analet, octopaminum, Octapamine, p-Norsynephrin, Octopamine [INN], Paraoxyphenyl aminoethanol, ND 50, 1-(p-Hydroxyphenyl)-2-aminoethanol, Octopaminum [Latin], Octopamin, WIN 5512, Octopaminum [INN-Latin], p-Hydroxyphenylethanolamine, beta-hydroxytyramine, Octopamina [INN-Spanish], alpha-(Aminoethyl)-4-hydroxybenzenemethanol, alpha-(Aminomethyl)-p-hydroxybenzyl alcohol, alpha-Aminoethyl-4-hydroxybenzylalkohol, 4-Octopamine, alpha-(Aminoethyl)-p-hydroxybenzyl alcohol, alpha-(aminomethyl)-4-hydroxybenzenemethanol, EINECS 203-179-5, UNII-14O50WS8JD, Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, BRN 1211019, 14O50WS8JD, DTXSID7043873, CHEBI:17134, ND-50, NSC-757399, DTXCID5023873, para-Octopamine, Benzyl alcohol, alpha-(aminomethyl)-p-hydroxy-, 4-13-00-02656 (Beilstein Handbook Reference), Octopaminum (Latin), NSC 757399, D,L-Octopamine, NCGC00015760-06, Octopamina [Spanish], Octopaminum (INN-Latin), .alpha.-(Aminomethyl)-p-hydroxybenzyl alcohol, Octopamina (INN-Spanish), OCTOPAMINE (MART.), OCTOPAMINE [MART.], CAS-104-14-3, 1-(4-Hydroxyphenyl)-2-aminoethanol, benzene, 1-(2-amino-1-hydroxy)ethyl-4-hydroxy-, 4-(2-amino-1-hydroxyethyl)phenol, hydrochloride, 2-Amino-1-(4-hydroxyphenyl)ethanol, Octopamine1531, 4-(2-Amino-1-hydroxy-ethyl)phenol, Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, hydrochloride, Spectrum_000201, OCTOPAMINE [MI], Prestwick0_000949, Prestwick1_000949, Prestwick2_000949, Prestwick3_000949, Spectrum2_000222, Spectrum3_000275, Spectrum4_000402, Spectrum5_001543, (.+/-.)-Octopamine, OCTOPAMINE [WHO-DD], Lopac0_000932, SCHEMBL22605, BSPBio_000918, BSPBio_001750, KBioGR_000664, KBioSS_000681, CHEMBL53929, DivK1c_000245, SPBio_000263, SPBio_003077, BPBio1_001010, cid_102484, GTPL2149, BDBM32764, KBio1_000245, KBio2_000681, KBio2_003249, KBio2_005817, KBio3_001250, (A+/-)-Octopamine hydrochloride, C01CA18, NINDS_000245, ALBB-025791, Tox21_110215, BBL009983, PDSP1_001544, PDSP2_001528, STK801377, 4-(2-Amino-1-hydroxyethyl)phenol #, AKOS000123349, Tox21_110215_1, CCG-205013, DB13251, SDCCGMLS-0066599.P001, SDCCGSBI-0050906.P004, IDI1_000245, SMP1_000221, 4-[(rs)-2-amino-1-hydroxyethyl]phenol, NCGC00015760-03, NCGC00015760-05, NCGC00015760-07, NCGC00015760-08, NCGC00015760-09, NCGC00015760-10, NCGC00015760-12, NCGC00015760-14, NCGC00015760-23, NCGC00015760-24, NCGC00091918-03, NCGC00091918-04, 4-[(1rs)-2-amino-1-hydroxyethyl]phenol, 4-[(IRS)-2-amino-1-hydroxyethyl]phenol, SBI-0050906.P003, DB-040514, AB00053571, 4-(2-amino-1-hydroxy-ethyl)phenol, hydrochloride, AB00053571-13, AB00053571_14, AB00053571_15, EN300-1264124, 4-(2-azanyl-1-oxidanyl-ethyl)phenol, hydrochloride, Benzenemethanol, .alpha.-(aminomethyl)-4-hydroxy-, Benzyl alcohol, .alpha.-(aminomethyl)-p-hydroxy-, Q424979, BRD-A14240607-003-24-6, BRD-A14240607-003-25-3, BRD-A14240607-003-26-1, BRD-A14240607-003-27-9, (.+/-.)-.alpha.-(Aminomethyl)-p-hydroxybenzyl alcohol, 64C59BC0-9C98-49EF-A853-8849F02ABAAC, F2173-0210, RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, OCTOPAMINE- [USP IMPURITY], 203-179-5 |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Description | 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. Octopamine is found in lemon, sweet orange, and pepper (c. frutescens). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 111.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P08913, P18089 |
| Uniprot Id | P22909, P46098, Q16236, Q99549, Q96KQ7, O15648, O89049, P49798, P25094, O94925, P21728, Q7YWB7, Q9NUW8, P15289, Q923Y9, n.a. |
| Iupac Name | 4-(2-amino-1-hydroxyethyl)phenol |
| Prediction Hob | 0.0 |
| Target Id | NPT425 |
| Xlogp | -1.1 |
| Molecular Formula | C8H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHGUCRYDKWKLMG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.473 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -0.318 |
| Synonyms | (RS)-4-(2-amino-1-hydroxy-ethyl)phenol, (RS)-octopamine, 1-(4-Hydroxyphenyl)-2-aminoethanol, 1-(p-hydroxyphenyl)-2-aminoethanol, 2-Amino-1-(4-hydroxyphenyl)ethanol, 4-(2R-amino-1-HYDROXYETHYL)phenol, 4-[2-amino-1-Hydroxyethyl]phenol, 4-Hydroxyphenethanolamine, a-(Aminomethyl)-4-hydroxybenzenemethanol, 9CI, a-(Aminomethyl)-p-hydroxybenzyl alcohol, 8CI, Analet, beta-Hydroxytyramine, beta,4-dihydroxyphenethylamine, DL-Octopamine, ND 50, Norden, Noroxedrine, Norphen, Norsympathol, Norsympatol, Norsynephrine, Norton, p-(b-Amino-a-hydroxyethyl)phenol, p-Hydroxyphenylethanolamine, Racemic octopamine |
| 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 | -0.4943585636363634 |
| Inchi | InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2 |
| Smiles | C1=CC(=CC=C1C(CN)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all