Molecule

(R)-octopamine

AlkaPlorer ID: AK010584

Synonym: 'MLS002222303', '104-14-3', '', 'MLS000028414', 'p-Hydroxyphenylethanolamine', '876-04-0', 'SMR000058358', '4-(2R-AMINO-1-HYDROXYETHYL)PHENOL', 'Octopamine', 'MLSMR', '(+,-)-Octopamine hydrochloride'

IUPAC Name: [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium

Structure

SMILES: [NH3+]C[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/p+1/t8-/m1/s1

InChIKey: QHGUCRYDKWKLMG-MRVPVSSYSA-O

Reference

Novel sponge-derived amino acids. 12. Tryptophan-derived pigments and accompanying sesterterpenes from Fascaplysinopsis reticulata

PubChem CID: 6918910

LOTUS: LTS0238315

SuperNatural Ⅲ: SN0305366-01

NPASS: NPC61986

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus reticulata	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus unshiu	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 154.189

TPSA？: 68.10000000000001

MolLogP？: -0.3324999999999998

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Trace amine-associated receptor 1	EC50	4113.0	nM	10.1021/acsmedchemlett.1c00527
Homo sapiens	Trace amine-associated receptor 1	Emax	108.0	%	10.1021/acsmedchemlett.1c00527