Molecule

4-Hydroxytryptamine; 2'-N-Tri-Me, O-phosphate

AlkaPlorer ID: AK302120

Synonym: Nb-Methylpsilocybine, Aeruginascine

IUPAC Name: [3-[2-(trimethylazaniumyl)ethyl]-1H-indol-4-yl] hydrogen phosphate

SMILES: C[N+](C)(C)CCC1=CNC2=CC=CC(OP(=O)([O-])O)=C12

InChI: InChI=1S/C13H19N2O4P/c1-15(2,3)8-7-10-9-14-11-5-4-6-12(13(10)11)19-20(16,17)18/h4-6,9,14H,7-8H2,1-3H3,(H-,16,17,18)

InChIKey: OIIPFLWAQQNCHA-UHFFFAOYSA-N

PubChem CID: 60208479

CAS: 114264-95-8

LOTUS: LTS0230676

{

NPAtlas: NPA007646

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Inocybe aeruginascens	Inocybe	Inocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Molecule Weight: 298.279

TPSA？: 85.38000000000001

MolLogP？: 1.2561

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT010394	CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12.C[SAH]>>C[N+](C)(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12	RXN-19123