SEQ2FUN

BioLiP

PDB CCD ID: QPO
Number of entries in BioLiP: 8
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c1-20-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKey: ZMPLLBBFALVVAF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
OpenEye OEToolkits 3.1.0.0COc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
Name:3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione
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).