Molecule ID: 11731091

IUPAC Name: (E,2R,3R,4R,8S,9S,10R)-N-[(Z)-2-(3-chloro-4-hydroxyphenyl)ethenyl]-3,9-dihydroxy-2,4-dimethoxy-6,8,10-trimethyl-7-oxotetradec-5-enamide

Description: The molecule is a monocarboxylic acid amide with formula C27H40ClNO7, that is produced by Chondromyces crocatus and exhibits antibiotic properties. It has a role as an antimicrobial agent and a bacterial metabolite. It is an enone, a diol, a secondary alcohol, an ether, a monocarboxylic acid amide, a member of monochlorobenzenes and a member of phenols.

SMILES: CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)C(O)=N/C=C\c1ccc(O)c(Cl)c1

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

InChI: InChI=1S/C27H40ClNO7/c1-7-8-9-16(2)23(31)18(4)24(32)17(3)14-22(35-5)25(33)26(36-6)27(34)29-13-12-19-10-11-21(30)20(28)15-19/h10-16,18,22-23,25-26,30-31,33H,7-9H2,1-6H3,(H,29,34)/b13-12-,17-14+/t16-,18+,22-,23+,25-,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 4.0