SEQ2FUN

BioLiP

PDB CCD ID: A1AT0
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O3
InChI: InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKey: XRCFXMGQEVUZFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 3.1.0.0		COc1ccc(cc1)C2C(=O)c3ccccc3C2=O
ACDLabs 14.52COc1ccc(cc1)C1C(=O)c2ccccc2C1=O
Name:anisindione;
2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione
ChEMBL: CHEMBL712
DrugBank: DB01125
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).