SEQ2FUN

BioLiP

PDB CCD ID: KKN
Number of entries in BioLiP: 3
Chemical formula: C8 H6 O3
InChI: InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3
InChIKey: JUTMAMXOAOYKHT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CC1=C2C=COC=C2OC1=O
ACDLabs 12.01O=C2OC1=COC=CC1=C2C
Name:3-methyl-2H-furo[2,3-c]pyran-2-one;
Karrikin KAR1
ZINC: ZINC000004204274
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).