Molecule ID: 118796884

IUPAC Name: (2E,4E,6E)-7-cyclohexyl-N-[2-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]phenyl]hepta-2,4,6-trienamide

Description: The molecule is a polyketide that is (all-E)-7-(3-amino-4-hydroxyphenyl)hepta-2,4,6-trienoic acid in which the amino group has been acylated by an (all-E)-7-cyclohexylhepta-2,4,6-trienoyl group and in which the carboxy group has undergone formal condensation with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. Protoasukamycin is an intermediate in the biosynthesis of asukamycin. It has a role as a bacterial metabolite. It is an enamide, a polyketide, a member of phenols, a cyclic ketone, an enol, an enone and a secondary carboxamide.

SMILES: O=C1CCC(O)=C1N=C(O)/C=C/C=C/C=C/c1ccc(O)c(N=C(O)/C=C/C=C/C=C/C2CCCCC2)c1

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

InChI: InChI=1S/C31H34N2O5/c34-26-19-18-24(15-7-2-4-11-17-30(38)33-31-27(35)20-21-28(31)36)22-25(26)32-29(37)16-10-3-1-6-12-23-13-8-5-9-14-23/h1-4,6-7,10-12,15-19,22-23,34-35H,5,8-9,13-14,20-21H2,(H,32,37)(H,33,38)/b3-1+,4-2+,12-6+,15-7+,16-10+,17-11+

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 5.8