SEQ2FUN

BioLiP

PDB CCD ID: 0LV
Number of entries in BioLiP: 4
Chemical formula: C11 H14 O2
InChI: InChI=1S/C11H14O2/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5,12H,6-7H2,1-2H3
InChIKey: LKFXMRFTJVYQMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1(C)Cc2cccc(CO)c2O1
ACDLabs 12.01OCc2cccc1c2OC(C1)(C)C
OpenEye OEToolkits 1.7.6CC1(Cc2cccc(c2O1)CO)C
Name:(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
ChEMBL: CHEMBL4226715
ZINC: ZINC000004271744
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).