Molecule ID: 9796904

IUPAC Name: 15-methyl-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione

Description: The molecule is an alkaloid comprising of a piperazine and cyclohexenone ring systems. Isolated from Penicillium herquei, it exhibits inhibitory activity against platelet aggregation. It has a role as a platelet aggregation inhibitor and a Penicillium metabolite. It is an alkaloid and a cyclic ketone.

SMILES: CN1CC2CC3=CC(C(=O)CC3)C3C=C(CCC3=O)CC1CN2

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

InChI: InChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 0.3