Molecule ID: 90657799

IUPAC Name: 2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]oxireno[2,3-b]quinolin-7-one

Description: The molecule is an epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C. It is an epoxide, a member of hydroxylamines, an aromatic ketone and an organic heterotricyclic compound. It derives from an aurachin C.

SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC12OC1(C)N(O)c1ccccc1C2=O

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

InChI: InChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 6.6