Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1EG8

Summary
Name:Bufotenin
Synonyms:N,N-Dimethyl-5-hydroxytryptamine
Formula:C12 H16 N2 O
Formal charge:0
Formula weight:204.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[2-(dimethylamino)ethyl]-1~{H}-indol-5-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
InChIKeyInChI1.06VTTONGPRPXSUTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1c[nH]c2ccc(O)cc12
SMILESCACTVS3.385CN(C)CCc1c[nH]c2ccc(O)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCc1c[nH]c2c1cc(cc2)O
SMILESOpenEye OEToolkits2.0.7CN(C)CCc1c[nH]c2c1cc(cc2)O

248335

PDB entries from 2026-01-28

PDB statisticsPDBj update infoContact PDBjnumon