SEQ2FUN

BioLiP

PDB CCD ID: PFL
Number of entries in BioLiP: 41
Chemical formula: C12 H18 O
InChI: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1c(cccc1C(C)C)C(C)C
OpenEye OEToolkits 1.5.0CC(C)c1cccc(c1O)C(C)C
CACTVS 3.341CC(C)c1cccc(C(C)C)c1O
Name:2,6-BIS(1-METHYLETHYL)PHENOL;
2,6-DIISOPROPYLPHENOL;
PROPOFOL
ChEMBL: CHEMBL526
DrugBank: DB00818
ZINC: ZINC000000968303
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).