Molecule ID: 54671999

IUPAC Name: (1S)-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol

Description: The molecule is a member of the class of beta-carbolines that is beta-carboline substituted by a 1-hydroxyethyl group at position 1 (the S enantiomer). It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a member of beta-carbolines and a secondary alcohol. It derives from a beta-carboline.

SMILES: C[C@H](O)c1nccc2c1[nH]c1ccccc12

SELFIES: [C][C@H1][Branch1][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]

InChI: InChI=1S/C13H12N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-8,15-16H,1H3/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 48.9 Ų
- LogP: 1.9