BioLiP

PDB

BioLiP

PDB CCD ID:

A1EMC

Number of entries in BioLiP:

Chemical formula:

C31 H42 O2

InChI:

InChI=1S/C31H42O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20,32-33H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

InChIKey:

NIOZAZRLJCBEGX-GHDNBGIDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(c2ccccc2c1O)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1c(C)c(O)c2ccccc2c1O
CACTVS 3.385	CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(/C)=C/Cc1c(C)c(O)c2ccccc2c1O
OpenEye OEToolkits 2.0.7	Cc1c(c(c2ccccc2c1O)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

Name:

2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-diol;
Menahydroquinone-4;
Menaquinol-4;
Mkh-4 cpd

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).