SEQ2FUN

BioLiP

PDB CCD ID: ZQT
Number of entries in BioLiP: 2
Chemical formula: C13 H10 O5
InChI: InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2
InChIKey: WRWDLBILCDUPOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1
OpenEye OEToolkits 2.0.7c1c(cc2c(c1O)Cc3c(cc(cc3O2)O)O)O
ACDLabs 12.01Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21
Name:9H-xanthene-1,3,6,8-tetrol
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).