SEQ2FUN

BioLiP

PDB CCD ID: 1OH
Number of entries in BioLiP: 1
Chemical formula: C15 H16 O
InChI: InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChIKey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(c1ccccc1)c2ccc(cc2)O
CACTVS 3.341CC(C)(c1ccccc1)c2ccc(O)cc2
ACDLabs 10.04Oc1ccc(cc1)C(c2ccccc2)(C)C
Name:4-(1-methyl-1-phenylethyl)phenol;
2-(4'-Hydroxyphenyl)-2-phenylpropane;
4-alpha-Cumylphenol
ChEMBL: CHEMBL194805
DrugBank: DB06902
ZINC: ZINC000001085204
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).