SEQ2FUN

BioLiP

PDB CCD ID: KOM
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O4
InChI: InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
InChIKey: JRVIIPJSVKTPBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O
CACTVS 3.341Oc1ccc2c(OC(=O)C=C2c3ccccc3)c1O
ACDLabs 10.04O=C2Oc1c(O)c(O)ccc1C(=C2)c3ccccc3
Name:7,8-dihydroxy-4-phenyl-2H-chromen-2-one;
4-phenyl-7,8-dihydroxycoumarine
ChEMBL: CHEMBL1233867
DrugBank: DB08049
ZINC: ZINC000000406883
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).