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BioLiP

PDB CCD ID: PIT
Number of entries in BioLiP: 40
Chemical formula: C14 H12 O4
InChI: InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKey: CDRPUGZCRXZLFL-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CACTVS 3.341Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
ACDLabs 10.04Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
Name:PICEATANNOL;
4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
ChEMBL: CHEMBL69863
DrugBank: DB08399
ZINC: ZINC000000014036
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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