BioLiP

PDB

BioLiP

PDB CCD ID:

PIT

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
OpenEye OEToolkits 1.5.0	c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CACTVS 3.341	Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
ACDLabs 10.04	Oc2ccc(\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, 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).