Molecule ID: 16725935

IUPAC Name: 2-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-3-methylnaphthalene-1,4-dione

Description: The molecule is a prenylnaphthoquinone obtained by hydroxylation of one of the terminal methyl groups of menaquinone-4. It has a role as a human metabolite. It is a prenylnaphthoquinone and a primary alcohol. It derives from a menatetrenone.

SMILES: CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)C(=O)c2ccccc2C1=O

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

InChI: InChI=1S/C31H40O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,12-13,16-19,32H,8-11,14-15,20-21H2,1-5H3/b22-13+,23-12+,24-19+,25-16+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 8.1