Molecule ID: 9810316

IUPAC Name: 10-[6-(6-acetyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

Description: The molecule is an antibiotic isolated from the culture broth of Streptomyces sp. QM16 with potent cytotoxic activity against the human tumor cells. It has a role as a metabolite, an antimicrobial agent and an antineoplastic agent. It is a cyclic ketone, a member of phenols, an aromatic ether, a bridged compound and an organonitrogen heterocyclic compound.

SMILES: COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(C)=O

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

InChI: InChI=1S/C38H34N6O8/c1-15-13-39-29-24(46)11-25-38(26(15)29)12-17(38)14-44(25)37(50)23-10-21-19-6-8-43(31(19)33(48)35(52-4)28(21)41-23)36(49)22-9-20-18-5-7-42(16(2)45)30(18)32(47)34(51-3)27(20)40-22/h9-11,13,17,39-41,47-48H,5-8,12,14H2,1-4H3

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: 3.0