Molecule ID: 56833858

IUPAC Name: (2R)-2-hydroxy-3,3-dimethyl-2,4-dihydrocyclopenta[b]indol-1-one

Description: The molecule is an indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by a hydroxy group at position 2, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis. It has a role as a metabolite and a plant metabolite. It is a cyclic ketone, an indole alkaloid, an organic heterotricyclic compound, a secondary alcohol and a secondary alpha-hydroxy ketone.

SMILES: CC1(C)c2[nH]c3ccccc3c2C(=O)[C@@H]1O

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

InChI: InChI=1S/C13H13NO2/c1-13(2)11-9(10(15)12(13)16)7-5-3-4-6-8(7)14-11/h3-6,12,14,16H,1-2H3/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.1