SEQ2FUN

BioLiP

PDB CCD ID: JN0
Number of entries in BioLiP: 2
Chemical formula: C20 H18 O6
InChI: InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKey: JOQWUUJQWPZLAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O
OpenEye OEToolkits 2.0.7CC(=CCc1cc(cc(c1O)O)C2=COc3cc(cc(c3C2=O)O)O)C
Name:3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one;
Glycyrrhisoflavone
ChEMBL: CHEMBL491515
ZINC: ZINC000014762993
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).