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BioLiP

PDB CCD ID: GFR
Number of entries in BioLiP: 12
Chemical formula: C20 H24 O6
InChI: InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1
InChIKey: MHXCIKYXNYCMHY-SXGZJXTBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O
CACTVS 3.385COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O
CACTVS 3.385COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)ccc1O
Name:4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol;
(-)-Lariciresinol
ChEMBL: CHEMBL487997
ZINC: ZINC000000900145
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).
  • 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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