Molecule ID: 17756329

IUPAC Name: nan

Description: The molecule is a furofuran that is hexahydrofuro[3,2-b]furan which is substituted at position 2 by a (1E,3E)-4-bromohexa-1,3-dien-1-yl group and at position 5 by a (1R)-3-bromopropadienyl group (the 2R,3aS,5R,6aS diastereoisomer). A natural product first isolated from the red alga Laurencia okamurai Yamada and subsequently found in the sea hare Aplysia kurodai, aplysiallene is an inhibitor of sodium-potassium adenosine triphosphatase. It has a role as a metabolite and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is an organobromine compound, a member of allenes and a furofuran.

SMILES: CC/C(Br)=C\C=C\[C@H]1C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1

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

InChI: InChI=1S/C15H18Br2O2/c1-2-11(17)5-3-6-12-9-14-15(18-12)10-13(19-14)7-4-8-16/h3,5-8,12-15H,2,9-10H2,1H3/b6-3+,11-5+/t4?,12-,13-,14-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 18.5 Ų
- LogP: 3.4