SEQ2FUN

BioLiP

PDB CCD ID: QSO
Number of entries in BioLiP: 6
Chemical formula: C16 H12 O5
InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O
CACTVS 3.341COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
ACDLabs 10.04O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O
Name:5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one;
Biochanin A
ChEMBL: CHEMBL131921
DrugBank: DB15334
ZINC: ZINC000018847037
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).