Molecule ID: 54672167

IUPAC Name: (2R)-3-(9H-pyrido[3,4-b]indol-1-yl)propane-1,2-diol

Description: The molecule is a member of the class of beta-carbolines that is beta-carboline substituted by a (2R)-2,3-dihydroxypropyl group at position 1. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a plant metabolite. It is a member of beta-carbolines and a diol. It derives from a hydride of a beta-carboline.

SMILES: OC[C@H](O)Cc1nccc2c1[nH]c1ccccc12

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

InChI: InChI=1S/C14H14N2O2/c17-8-9(18)7-13-14-11(5-6-15-13)10-3-1-2-4-12(10)16-14/h1-6,9,16-18H,7-8H2/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 69.1 Ų
- LogP: 1.3