Molecule

5-Hydroxytryptamine; Nb-(3-Carboxypropanoyl)

AlkaPlorer ID: AK044832

Synonym: Bufobutanoic acid

IUPAC Name: 4-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-4-oxobutanoic acid

Structure

SMILES: O=C(O)CCC(O)=NCCC1=CNC2=C1C=C(O)C=C2

InChI: InChI=1S/C14H16N2O4/c17-10-1-2-12-11(7-10)9(8-16-12)5-6-15-13(18)3-4-14(19)20/h1-2,7-8,16-17H,3-6H2,(H,15,18)(H,19,20)

InChIKey: HGOQFBPGMIWJLR-UHFFFAOYSA-N

Reference

Quality Evaluation of Traditional Chinese Drug Toad Venom from Different Origins through a Simultaneous Determination of Bufogenins and Indole Alkaloids by HPLC

PubChem CID: 10612485

LOTUS: LTS0273129

NPASS: NPC156704

COCONUT: CNP0294168

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
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
None	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: 276.292

TPSA？: 105.91

MolLogP？: 2.2373000000000003

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agaricus bisporus	Tyrosinase	IC50	350000.0	nM	10.1016/j.bmcl.2011.02.028
None	Radical scavenging activity	EC50	38300.0	nM	10.1016/j.bmcl.2011.02.028