BioLiP

PDB

BioLiP

PDB CCD ID:

2QO

Number of entries in BioLiP:

Chemical formula:

C18 H16 O3

InChI:

InChI=1S/C18H16O3/c1-2-4-13-5-3-6-15(11-13)16-12-14(7-9-17(16)19)8-10-18(20)21/h2-3,5-12,19H,1,4H2,(H,20,21)/b10-8+

InChIKey:

RHYATHLMUIVCPK-CSKARUKUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)/C=C/c1ccc(O)c(c1)c2cccc(CC=C)c2
ACDLabs 12.01	O=C(O)\C=C\c2ccc(O)c(c1cc(ccc1)C\C=C)c2
OpenEye OEToolkits 1.7.6	C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O
CACTVS 3.385	OC(=O)C=Cc1ccc(O)c(c1)c2cccc(CC=C)c2
OpenEye OEToolkits 1.7.6	C=CCc1cccc(c1)c2cc(ccc2O)C=CC(=O)O

Name:

(2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid;
(E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid

ZINC:

ZINC000213029638

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).