Molecule ID: 86289501

IUPAC Name: 2-[(E,7R,11S)-16-hydroxy-3,7,11,15-tetramethylhexadec-2-enyl]-3-methylnaphthalene-1,4-dione

Description: The molecule is a member of the class of phylloquinones obtained by hydroxylation of one of the terminal methyl groups of phylloquinone itself. It is a member of phylloquinones and a primary alcohol.

SMILES: CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C(=O)c2ccccc2C1=O

SELFIES: [C][C][=C][Branch2][Ring1][=C][C][/C][=C][Branch1][C][\C][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][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/C31H46O3/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/h6-7,17-19,22-23,25,32H,8-16,20-21H2,1-5H3/b24-19+/t22-,23+,25?/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 9.5