Molecule ID: 11218563

IUPAC Name: (2E,6E,10E)-4-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

Description: The molecule is a sesquiterpenoid that is zerumbone substituted by a hydroxy group at position 5. Isolated from the rhizomes Zingiber zerumbet, it has been found to inhibit lipopolysaccharide-induced nitric oxide production. It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a cyclic ketone, a sesquiterpenoid and a secondary alcohol. It derives from a zerumbone. It derives from a hydride of a humulane.

SMILES: C/C1=C\CC(C)(C)/C=C/C(=O)/C(C)=C/C(O)C1

SELFIES: [C][/C][=C][\C][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][Branch1][C][O][C][Ring1][S]

InChI: InChI=1S/C15H22O2/c1-11-5-7-15(3,4)8-6-14(17)12(2)10-13(16)9-11/h5-6,8,10,13,16H,7,9H2,1-4H3/b8-6+,11-5+,12-10+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.8