BioLiP

PDB

BioLiP

PDB CCD ID:

7WK

Number of entries in BioLiP:

Chemical formula:

C16 H21 N O5

InChI:

InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3/t13-/m1/s1

InChIKey:

IUPYLWAXGAJZQC-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)([C@@H](COc1cccc2c1N(C(=O)C=C2OC)C)O)O
CACTVS 3.385	COC1=CC(=O)N(C)c2c(OC[C@@H](O)C(C)(C)O)cccc12
CACTVS 3.385	COC1=CC(=O)N(C)c2c(OC[CH](O)C(C)(C)O)cccc12
OpenEye OEToolkits 2.0.7	CC(C)(C(COc1cccc2c1N(C(=O)C=C2OC)C)O)O

Name:

foliosidine ;
4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one

ChEMBL:

CHEMBL1370598

ZINC:

ZINC000000035532

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).