Molecule ID: 9795063

IUPAC Name: [3-(2-aminoethyl)-1H-indol-4-yl] dihydrogen phosphate

Description: The molecule is a tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4. It has a role as a fungal metabolite and a hallucinogen. It is an organic phosphate, a tryptamine alkaloid and a primary amino compound. It derives from a tryptamine. It is a conjugate acid of a norbaeocystin(1-).

SMILES: NCCc1c[nH]c2cccc(OP(=O)(O)O)c12

SELFIES: [N][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][=C][Ring1][O]

InChI: InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -2.6