BioLiP

PDB

BioLiP

PDB CCD ID:

EUG

Number of entries in BioLiP:

Chemical formula:

C10 H12 O2

InChI:

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

InChIKey:

BJIOGJUNALELMI-ONEGZZNKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C/C=C/c1ccc(c(c1)OC)O
CACTVS 3.370	COc1cc(C=CC)ccc1O
ACDLabs 12.01	Oc1ccc(cc1OC)/C=C/C
OpenEye OEToolkits 1.7.2	CC=Cc1ccc(c(c1)OC)O
CACTVS 3.370	COc1cc(\C=C\C)ccc1O

Name:

2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol;
Isoeugenol

ChEMBL:

CHEMBL193598

ZINC:

ZINC000000391122

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).