SEQ2FUN

BioLiP

PDB CCD ID: FLV
Number of entries in BioLiP: 13
Chemical formula: C10 H6 O5
InChI: InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H
InChIKey: RROPNRTUMVVUED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
ACDLabs 10.04O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2
OpenEye OEToolkits 1.5.0c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O
Name:FLAVIOLIN;
2,5,7-TRIHYDROXYNAPHTHOQUINONE
ChEMBL: CHEMBL1232770
DrugBank: DB02521
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).