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BioLiP

PDB CCD ID: I5L
Number of entries in BioLiP: 1
Chemical formula: C18 H14 O3
InChI: InChI=1S/C18H14O3/c1-12(11-19)4-2-5-13-6-3-7-15-16-10-14(20)8-9-17(16)21-18(13)15/h2-11,20H,1H3/b5-2-,12-4-
InChIKey: FWMQKXGLKVAFDC-FYOBGJLRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CC=Cc1cccc2c1oc3c2cc(cc3)O)C=O
CACTVS 3.385CC(\C=O)=C\C=C/c1cccc2c1oc3ccc(O)cc23
CACTVS 3.385CC(C=O)=CC=Cc1cccc2c1oc3ccc(O)cc23
OpenEye OEToolkits 2.0.7C/C(=C/C=C\c1cccc2c1oc3c2cc(cc3)O)/C=O
Name:(2~{Z},4~{Z})-2-methyl-5-(8-oxidanyldibenzofuran-4-yl)penta-2,4-dienal
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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