Molecule ID: 56833860

IUPAC Name: (2R)-2-hydroxy-1-(1H-indol-3-yl)-3-methylbutan-1-one

Description: The molecule is an indole alkaloid that is 1H-indole substituted by a (2R)-2-hydroxy-3-methylbutanoyl group at position 3. It has been isolated from the ethanol extract of the stems of Brucea mollis. It has a role as a plant metabolite. It is an indole alkaloid, a secondary alcohol, an aromatic ketone and a secondary alpha-hydroxy ketone.

SMILES: CC(C)[C@@H](O)C(=O)c1c[nH]c2ccccc12

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

InChI: InChI=1S/C13H15NO2/c1-8(2)12(15)13(16)10-7-14-11-6-4-3-5-9(10)11/h3-8,12,14-15H,1-2H3/t12-/m1/s1

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.8