SEQ2FUN

BioLiP

PDB CCD ID: A64
Number of entries in BioLiP: 2
Chemical formula: C18 H16 O2
InChI: InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
InChIKey: PYTOHIUBXSJKQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(cc2)C(C)C)cccc3
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
Name:4'-ISOPROPYLFLAVONE
ChEMBL: CHEMBL2431867
ZINC: ZINC000000135411
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).