Molecule ID: 135960042

IUPAC Name: (2R,2'S,3R,5'S,7'S)-3-methoxy-5'-methyl-5-(1H-pyrrol-2-yl)spiro[3,4-dihydropyrrole-2,3'-4-oxa-18-azatricyclo[13.2.1.02,7]octadeca-1(17),15-diene]

Description: The molecule is a macrocycle isolated from a marine sediment-derived actinomycete, Streptomyces sp. It exhibits cytotoxicity against colon tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is an azaspiro compound, an oxaspiro compound, an ether, a member of pyrroles and a macrocycle.

SMILES: CO[C@@H]1CC(c2ccc[nH]2)=N[C@]12O[C@@H](C)C[C@@H]1CCCCCCCc3ccc([nH]3)[C@H]12

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

InChI: InChI=1S/C25H35N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,17-18,23-24,26-27H,3-7,9-10,15-16H2,1-2H3/t17-,18-,23+,24-,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 62.4 Ų
- LogP: 4.7