Molecule ID: 11408160

IUPAC Name: (1R,2S,3R,11R,14S,16S)-3,14,16-trihydroxy-11,15,15-trimethyl-7-[(1E,3E)-penta-1,3-dienyl]-8,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),6-dien-5-one

Description: The molecule is an organic heteropentacyclic compound with a mixed polyketide-terpenoid origin isolated from Penicillium hesseltinei. It has been shown to exhibit antiviral activity. It has a role as an antiviral agent and a Penicillium metabolite. It is an organic heteropentacyclic compound, a cyclic ether, a bridged compound, a tertiary alcohol, a secondary alcohol, a cyclic ketone and a ketene acetal.

SMILES: C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@]4(O)CC[C@]3(CO4)[C@H]1[C@H]2O

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

InChI: InChI=1S/C25H32O7/c1-5-6-7-8-15-13-16(26)17-18(27)19-22(4,32-20(17)31-15)9-11-24(28)21(2,3)25(29)12-10-23(19,24)14-30-25/h5-8,13,18-19,27-29H,9-12,14H2,1-4H3/b6-5+,8-7+/t18-,19-,22+,23-,24+,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 1.8