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BioLiP

PDB CCD ID: 674
Number of entries in BioLiP: 4
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
InChIKey: GYLUFQJZYAJQDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3
OpenEye OEToolkits 1.5.0c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O
CACTVS 3.341Oc1ccc(cc1)C2=COc3cc(O)c(O)cc3C2=O
Name:6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
ChEMBL: CHEMBL239156
ZINC: ZINC000000391977
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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