BioLiP

PDB

BioLiP

PDB CCD ID:

55B

Number of entries in BioLiP:

Chemical formula:

C11 H14 O4

InChI:

InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+

InChIKey:

LZFOPEXOUVTGJS-ONEGZZNKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	COc1cc(cc(c1O)OC)/C=C/CO
CACTVS 3.385	COc1cc(\C=C\CO)cc(OC)c1O
ACDLabs 12.01	COc1cc(cc(c1O)OC)\C=C\CO
OpenEye OEToolkits 1.9.2	COc1cc(cc(c1O)OC)C=CCO
CACTVS 3.385	COc1cc(C=CCO)cc(OC)c1O

Name:

4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol;
Sinapyl alcohol;
sinapoyl alcohol

ChEMBL:

CHEMBL1800816

ZINC:

ZINC000012418399

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).