SEQ2FUN

BioLiP

PDB CCD ID: MLO
Number of entries in BioLiP: 4
Chemical formula: C18 H18 O2
InChI: InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
InChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O
CACTVS 3.370Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O
ACDLabs 12.01Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C
Name:5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol;
magnolol
ChEMBL: CHEMBL180920
ZINC: ZINC000000001645
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).