Molecule ID: 44542228

IUPAC Name: methyl (2R,3S)-3-[(E)-6-[(2R)-3,3-dimethyloxiran-2-yl]-4-methylhex-3-enyl]-3-methyloxirane-2-carboxylate

Description: The molecule is a juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali. It has a role as an animal metabolite. It is a juvenile hormone, a fatty acid methyl ester and an epoxide. It derives from a methyl farnesoate.

SMILES: COC(=O)[C@@H]1O[C@@]1(C)CC/C=C(\C)CC[C@H]1OC1(C)C

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

InChI: InChI=1S/C16H26O4/c1-11(8-9-12-15(2,3)19-12)7-6-10-16(4)13(20-16)14(17)18-5/h7,12-13H,6,8-10H2,1-5H3/b11-7+/t12-,13+,16+/m1/s1

Molecular Properties:
- Polar Surface Area: 51.4 Ų
- LogP: 2.9