Molecule ID: 6441014

IUPAC Name: (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide

Description: The molecule is a polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium Streptomyces nodosus subsp. asukaensis. It has a role as an antibacterial agent, an antifungal agent, an antimicrobial agent, an antineoplastic agent and a bacterial metabolite. It is an enamide, an epoxide, an organic heterobicyclic compound, a polyketide, a tertiary alcohol and a secondary carboxamide. It derives from a 4-hydroxyprotoasukamycin.

SMILES: O=C1CCC(O)=C1N=C(O)/C=C/C=C/C=C/[C@]1(O)C=C(N=C(O)/C=C/C=C/C=C/C2CCCCC2)C(=O)[C@H]2O[C@H]21

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

InChI: InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: 3.5