SEQ2FUN

FURNA

PDB CCD ID: NJL
Number of entries in FURNA: 2
Chemical formula: C19 H14 F2 N2 O3
InChI: InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10-
InChIKey: VDZKKTGUASZPDB-RMASLCFXSA-N
SMILES: CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=C/c3ccc(cc3)O;
CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3;
CN1C(=O)/C(=C/c2cc(F)c(O)c(F)c2)N=C1/C=C/c3ccc(O)cc3;
CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3ccc(cc3)O
Name:(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one

Reference:
  • Chengxin Zhang, Lydia Freddolino (2024) "FURNA: a database for function annotations of RNA structures," PLOS Biology 22(7): e3002476.