Navigation

name Structure Reference Source Properties Activities Metabolism

5-Hydroxytryptamine; Nb-Me 

AlkaPlorer ID: AK030409

Synonym: 5-Hydroxy-Nω-methyltryptamine, Nb-Methylserotonin 

IUPAC Name: 3-[2-(methylamino)ethyl]-1H-indol-5-ol

Structure

SMILES: CNCCC1=CNC2=CC=C(O)C=C12

copy

InChI: InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3

copy

InChIKey: ASUSBMNYRHGZIG-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Gavia immer Gavia Gaviidae Gaviiformes Aves Chordata Metazoa Eukaryota
Halimeda macroloba Halimeda Halimedaceae Bryopsidales Ulvophyceae Chlorophyta Viridiplantae Eukaryota
Aruncus dioicus Aruncus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lecanora conizaeoides Lecanora Lecanoraceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Artemisia oranensis Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vitex megapotamica Vitex Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota
Cortinarius rubellus Cortinarius Cortinariaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Strychnos fendleri Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hesperocyparis macrocarpa Hesperocyparis Cupressaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota
Pleurotus citrinopileatus Pleurotus Pleurotaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Vicia villosa Vicia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Buxus sempervirens Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Bufo bufo Bufo Bufonidae Anura Amphibia Chordata Metazoa Eukaryota
Saururus cernuus Saururus Saururaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Potentilla multifida Potentilla Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces plumbeus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 190.246

TPSA？: 48.05

MolLogP？: 1.6354

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 25059.4 nM None
Homo sapiens Cerebroside-sulfatase Potency 13459.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 50118.7 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 39810.72 nM None
Homo sapiens Cytochrome P450 2D6 Potency 39810.7 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA polymerase kappa Potency 7519.3 nM None
Homo sapiens Dopamine D1 receptor Potency 1835.5 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 35481.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 23778.1 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 280.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 4.898 nM 10.1021/jm950410b
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 5.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki 45.0 nM 10.1021/jm00384a001
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 180.0 nM 10.1021/jm00384a001
None Unchecked Potency 5623.4 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014561 C[SAH].CNCCc1c[nH]c2ccc(O)cc12>>CNCCc1c[nH]c2ccc(OC)cc12 enzymemap_27370
AKRT014653 C[SAH].NCCc1c[nH]c2ccc(O)cc12>>CNCCc1c[nH]c2ccc(O)cc12 R02910