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BioLiP

PDB CCD ID: 7WK
Number of entries in BioLiP: 4
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)([C@@H](COc1cccc2c1N(C(=O)C=C2OC)C)O)O
CACTVS 3.385COC1=CC(=O)N(C)c2c(OC[C@@H](O)C(C)(C)O)cccc12
CACTVS 3.385COC1=CC(=O)N(C)c2c(OC[CH](O)C(C)(C)O)cccc12
OpenEye OEToolkits 2.0.7CC(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, Peter L 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).

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