Molecule ID: 16127256

IUPAC Name: (2R)-1-(3,4-dimethoxy-2-methyl-9H-carbazol-1-yl)propan-2-ol

Description: The molecule is a carbazole alkaloid that is 9H-carbazole substituted by a methyl group at position 2, methoxy groups at positions 3 and 4 and a (2S)-2-hydroxypropyl group at position 1. Isolated from mycelial solid culture of Streptoverticillium morookaense, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a carbazole alkaloid, an aromatic ether and a secondary alcohol. It derives from a hydride of a 9H-carbazole.

SMILES: COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccccc3c2c1OC

SELFIES: [C][O][C][=C][Branch1][C][C][C][Branch1][#Branch1][C][C@@H1][Branch1][C][C][O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][C][O][C]

InChI: InChI=1S/C18H21NO3/c1-10(20)9-13-11(2)17(21-3)18(22-4)15-12-7-5-6-8-14(12)19-16(13)15/h5-8,10,19-20H,9H2,1-4H3/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.5 Ų
- LogP: 3.7