SEQ2FUN

BioLiP

PDB CCD ID: ZZ1
Number of entries in BioLiP: 7
Chemical formula: C10 H8 O2
InChI: InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey: PSGQCCSGKGJLRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2Oc1ccccc1C(=C2)C
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1cccc2
CACTVS 3.341CC1=CC(=O)Oc2ccccc12
Name:4-METHYL-2H-CHROMEN-2-ONE;
4-METHYLUMBELLIFERYL
ChEMBL: CHEMBL12279
DrugBank: DB08785
ZINC: ZINC000000300858
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).