Molecule ID: 134814708

IUPAC Name: [(1S,9R,10S,12R,13E,16S,17R,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate

Description: The molecule is a monoterpenoid indole alkaloid with formula C30H34N2O5. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, a tertiary amino compound, an organic heterohexacyclic compound and a benzoate ester. It derives from a 3,4,5-trimethoxybenzoic acid.

SMILES: C/C=C1/CN2[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@H]3[C@H]5OC(=O)c1cc(OC)c(OC)c(OC)c1

SELFIES: [C][/C][=C][/C][N][C@H1][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C@H1][Ring1][#Branch2][C@@H1][Ring1][=C][C][C@@H1][Ring2][Ring1][C][C@H1][Ring1][S][C@H1][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]

InChI: InChI=1S/C30H34N2O5/c1-6-16-15-32-21-13-18(16)25-22(32)14-30(19-9-7-8-10-20(19)31(2)27(21)30)28(25)37-29(33)17-11-23(34-3)26(36-5)24(12-17)35-4/h6-12,18,21-22,25,27-28H,13-15H2,1-5H3/b16-6-/t18-,21-,22-,25+,27-,28+,30-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.5 Ų
- LogP: 4.3