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BioLiP

PDB CCD ID: 6JM
Number of entries in BioLiP: 3
Chemical formula: C15 H10 O6
InChI: InChI=1S/C15H10O6/c16-8-2-4-12-9(6-8)13(19)14(20)15(21-12)7-1-3-10(17)11(18)5-7/h1-6,16-18,20H
InChIKey: BXPBSBBFPNTFFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2OC(=C(O)C(=O)c2c1)c3ccc(O)c(O)c3
OpenEye OEToolkits 2.0.4c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O
ACDLabs 12.01c1c(O)c(O)ccc1C=3Oc2ccc(O)cc2C(C=3O)=O
Name:2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one
ChEMBL: CHEMBL1224325
ZINC: ZINC000000008662
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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