BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWB

Number of entries in BioLiP:

Chemical formula:

C24 H32 O4

InChI:

InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3

InChIKey:

HKULYCOWDDIJCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O
OpenEye OEToolkits 2.0.7	Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C(=O)OC2
CACTVS 3.385	CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O
OpenEye OEToolkits 2.0.7	Cc1c2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C(=O)OC2

Name:

4-farnesyl-3,5-dihydroxy-6-methylphthalide;
4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one

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).