BioLiP

PDB

BioLiP

PDB CCD ID:

L4H

Number of entries in BioLiP:

Chemical formula:

C22 H30 O4

InChI:

InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9+,17-11+

InChIKey:

VWHKYMBCXCSQEZ-BTMZFSHUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(=O)O)C)C)C
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C
CACTVS 3.385	CC(C)=CCC\C(C)=C\CCC(/C)=C/Cc1cc(cc(O)c1O)C(O)=O

Name:

farnesyl dihydroxybenzoate

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).