Molecule ID: 6474554

IUPAC Name: [3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (2E,6E)-2,6-dimethylocta-2,6-dienoate

Description: The molecule is a naphthoquinone isolated from Rhinacanthus nasutus and has been shown to exhibit antiviral activity. It has a role as a metabolite, an antiviral agent and an antineoplastic agent. It is a carboxylic ester, an enol, an enoate ester and a hydroxy-1,4-naphthoquinone.

SMILES: C/C=C(\C)CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)c2ccccc2C(=O)C1=O

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

InChI: InChI=1S/C25H30O5/c1-6-16(2)10-9-11-17(3)24(29)30-15-25(4,5)14-20-21(26)18-12-7-8-13-19(18)22(27)23(20)28/h6-8,11-13,26H,9-10,14-15H2,1-5H3/b16-6+,17-11+

Molecular Properties:
- Polar Surface Area: 80.7 Ų
- LogP: 5.3