SEQ2FUN

BioLiP

PDB CCD ID: BHQ
Number of entries in BioLiP: 2
Chemical formula: C14 H22 O2
InChI: InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey: JZODKRWQWUWGCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O
ACDLabs 10.04Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
CACTVS 3.341CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
Name:2,5-DITERT-BUTYLBENZENE-1,4-DIOL;
2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
ChEMBL: CHEMBL480626
DrugBank: DB04638
ZINC: ZINC000000056404
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).