SEQ2FUN

BioLiP

PDB CCD ID: QX4
Number of entries in BioLiP: 3
Chemical formula: C10 H8 O3
InChI: InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChIKey: WIRGBZBGYNIZIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2OC(=O)C=C(O)c2c1
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)C(=CC(=O)O2)O
ACDLabs 12.01C=2C(=O)Oc1ccc(C)cc1C=2O
Name:4-hydroxy-6-methyl-2H-1-benzopyran-2-one
ChEMBL: CHEMBL1631885
ZINC: ZINC000095483602
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).