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BioLiP

PDB CCD ID: 7NA
Number of entries in BioLiP: 2
Chemical formula: C13 H12 O4
InChI: InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKey: LYGUXQMPYLCEGL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cc(cc2c1ccc(c2C(=O)O)O)OC
CACTVS 3.352COc1cc(C)c2ccc(O)c(C(O)=O)c2c1
ACDLabs 11.02O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
Name:2-hydroxy-7-methoxy-5-methyl naphthoic acid;
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
ZINC: ZINC000058638424
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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