SEQ2FUN

BioLiP

PDB CCD ID: 27M
Number of entries in BioLiP: 6
Chemical formula: C13 H10 O5
InChI: InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChIKey: WXNRYSGJLQFHBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O
CACTVS 3.385Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O
ACDLabs 12.01O=C(c1ccc(O)cc1O)c2ccc(O)cc2O
Name:bis(2,4-dihydroxyphenyl)methanone
ChEMBL: CHEMBL3185091
ZINC: ZINC000000039103
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).