Molecule ID: 442630

IUPAC Name: (1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione

Description: The molecule is an alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects. It has a role as a plant metabolite and a cardiovascular drug. It is an alkaloid and a macrodiolide.

SMILES: C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C

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

InChI: InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.7 Ų
- LogP: 6.3