BioLiP

PDB

BioLiP

PDB CCD ID:

OM6

Number of entries in BioLiP:

Chemical formula:

C14 H16 O3

InChI:

InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1

InChIKey:

WHONYTGAUPIIAI-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2C(=O)[CH](Oc2c1)C3CCCCC3
ACDLabs 12.01	Oc1ccc2c(c1)OC(C2=O)C1CCCCC1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)O[C@@H](C2=O)C3CCCCC3
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)OC(C2=O)C3CCCCC3
CACTVS 3.385	Oc1ccc2C(=O)[C@H](Oc2c1)C3CCCCC3

Name:

(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-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).