SEQ2FUN

BioLiP

PDB CCD ID: 4HM
Number of entries in BioLiP: 1
Chemical formula: C7 H8 O4
InChI: InChI=1S/C7H8O4/c1-10-7-4-5(11-9)2-3-6(7)8/h2-4,8-9H,1H3
InChIKey: DNBCLSZROQUYQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccc(OO)cc1OC
CACTVS 3.341COc1cc(OO)ccc1O
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)OO
Name:4-HYDROPEROXY-2-METHOXY-PHENOL
DrugBank: DB03764
ZINC: ZINC000014880918
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).