Molecule ID: 5471610

IUPAC Name: (1R,3Z,5S,7S)-3-[hydroxy(phenyl)methylidene]-6,6-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione

Description: The molecule is an enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities. It has a role as a metabolite, an anti-allergic agent, an antibacterial agent, a trypanocidal drug, a vasodilator agent and an anti-inflammatory agent. It is an enol, an enone, a bridged compound and an aromatic ketone.

SMILES: CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccccc3)C(=O)[C@](CC=C(C)C)(C2=O)C1(C)C

SELFIES: [C][C][Branch1][C][C][=C][C][C@H1][C][C@@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][/C][=Branch1][=N][=C][Branch1][C][/O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@][Branch1][Branch2][C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Ring2][Ring1][#Branch2][=O][C][Ring2][Ring1][=C][Branch1][C][C][C]

InChI: InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,34H,15,18-20H2,1-8H3/b27-26-/t25-,32-,33+/m0/s1

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: 9.1