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BioLiP

PDB CCD ID: CC2
Number of entries in BioLiP: 16
Chemical formula: C22 H18 O3
InChI: InChI=1S/C22H18O3/c1-13-10-18-20(11-14(13)2)25-22(24)19(21(18)23)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,23H,12H2,1-2H3
InChIKey: CLIXIKBUGAHFJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
ACDLabs 11.02O=C2Oc1cc(c(cc1C(O)=C2Cc4c3ccccc3ccc4)C)C
OpenEye OEToolkits 1.7.0Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
Name:4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
ChEMBL: CHEMBL569169
ZINC: ZINC000045254451
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)(download the PDF file).
  • 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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