BioLiP

PDB

BioLiP

PDB CCD ID:

T0C

Number of entries in BioLiP:

Chemical formula:

C27 H20 O4

InChI:

InChI=1S/C27H20O4/c28-25-24(19-8-2-1-3-9-19)26(31-27(25)29)20-13-15-22(16-14-20)30-17-21-11-6-10-18-7-4-5-12-23(18)21/h1-16,26,28H,17H2/t26-/m1/s1

InChIKey:

TUGRJQUAOWPYSJ-AREMUKBSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2=C(C(=O)O[C@@H]2c3ccc(cc3)OCc4cccc5c4cccc5)O
CACTVS 3.385	OC1=C([C@H](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5
CACTVS 3.385	OC1=C([CH](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2=C(C(=O)OC2c3ccc(cc3)OCc4cccc5c4cccc5)O

Name:

(2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-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).