SEQ2FUN

BioLiP

PDB CCD ID: C9M
Number of entries in BioLiP: 1
Chemical formula: C11 H14 O3
InChI: InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+
InChIKey: SBENKNZHVXGNTP-ONEGZZNKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COCC=Cc1ccc(c(c1)OC)O
CACTVS 3.370COC/C=C/c1ccc(O)c(OC)c1
CACTVS 3.370COCC=Cc1ccc(O)c(OC)c1
ACDLabs 12.01Oc1ccc(cc1OC)/C=C/COC
OpenEye OEToolkits 1.7.6COC/C=C/c1ccc(c(c1)OC)O
Name:2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol
ZINC: ZINC000033832528
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).