SEQ2FUN

BioLiP

PDB CCD ID: A1L2Z
Number of entries in BioLiP: 1
Chemical formula: C11 H10 O4
InChI: InChI=1S/C11H10O4/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5,12H,6H2,1H3
InChIKey: PRVOZGKAZHXKMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCC1=CC(=O)Oc2c1ccc(c2)O
CACTVS 3.385COCC1=CC(=O)Oc2cc(O)ccc12
Name:7-Hydroxy-4-methoxymethylcoumarin;
4-(methoxymethyl)-7-oxidanyl-chromen-2-one
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).