Molecule ID: 10430190

IUPAC Name: N-methyl-2-(2,3,4,6,7-pentamethoxyphenanthren-1-yl)ethanamine

Description: The molecule is a phenanthrene substituted by a 2-(methylamino)ethyl group at position 1 and by methoxy groups at positions 2,3,4,6 and 7, respectively. It is a plant metabolite isolated from Annona purpurea and Fagonia olivieri. It has a role as a plant metabolite. It is a member of phenanthrenes, an aromatic ether, a polyether, a secondary amino compound and a phenanthrene alkaloid.

SMILES: CNCCc1c(OC)c(OC)c(OC)c2c1ccc1cc(OC)c(OC)cc12

SELFIES: [C][N][C][C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C]

InChI: InChI=1S/C22H27NO5/c1-23-10-9-15-14-8-7-13-11-17(24-2)18(25-3)12-16(13)19(14)21(27-5)22(28-6)20(15)26-4/h7-8,11-12,23H,9-10H2,1-6H3

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 4.1