BioLiP

PDB

BioLiP

PDB CCD ID:

LJ1

Number of entries in BioLiP:

Chemical formula:

C16 H16 O

InChI:

InChI=1S/C16H16O/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11,17H,1-2H3/b9-8+

InChIKey:

PAHKYLUYTGBFNW-CMDGGOBGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1cc(\C=C\c2ccccc2)cc(C)c1O
OpenEye OEToolkits 1.5.0	Cc1cc(cc(c1O)C)C=Cc2ccccc2
CACTVS 3.341	Cc1cc(C=Cc2ccccc2)cc(C)c1O
OpenEye OEToolkits 1.5.0	Cc1cc(cc(c1O)C)\C=C\c2ccccc2
ACDLabs 10.04	Oc2c(cc(\C=C\c1ccccc1)cc2C)C

Name:

2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol;
3,5-Dimethyl-4-hydroxystilbene

ChEMBL:

CHEMBL55960

DrugBank:

DB08100

ZINC:

ZINC000029548831

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).