Molecule ID: 71768068

IUPAC Name: (1Z,10Z,12E)-3,4-dihydroxy-5,8,10,11,17-pentamethyl-7-oxo-18,19-dioxatricyclo[12.3.1.12,5]nonadeca-1,3,10,12,14,16-hexaene-6-carboxylic acid

Description: The molecule is a macrocycle isolated from Chaetomium globosum and has been shown to exhibit antifungal and cytotoxic activity. It has a role as a metabolite, an antineoplastic agent, an antifungal agent and a Chaetomium metabolite. It is a macrocycle, a cyclic ether, an oxo monocarboxylic acid and an enol.

SMILES: CC1=CC=C2/C=C/C(C)=C(/C)CC(C)C(=O)C(C(=O)O)C3(C)O/C(=C/1O2)C(O)=C3O

SELFIES: [C][C][=C][C][=C][/C][=C][/C][Branch1][C][C][=C][Branch1][C][/C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][O][/C][=Branch1][=Branch2][=C][-/Ring2][Ring1][Branch2][O][Ring2][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][=Branch2][O]

InChI: InChI=1S/C23H26O7/c1-11-6-8-15-9-7-12(2)19(29-15)20-18(25)21(26)23(5,30-20)16(22(27)28)17(24)14(4)10-13(11)3/h6-9,14,16,25-26H,10H2,1-5H3,(H,27,28)/b8-6+,13-11-,20-19-

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 2.7