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BioLiP

PDB CCD ID: QP3
Number of entries in BioLiP: 4
Chemical formula: C16 H12 O5
InChI: InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
InChIKey: MCHNUYTWURIGNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1cc2c(c(c1)OC)C(=O)c3c(cccc3O)C2=O
CACTVS 3.385COc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1
Name:1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione
ZINC: ZINC000005812873
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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