BioLiP

PDB

BioLiP

PDB CCD ID:

HC4

Number of entries in BioLiP:

Chemical formula:

C9 H8 O3

InChI:

InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

InChIKey:

NGSWKAQJJWESNS-ZZXKWVIFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1/C=C/C(=O)O)O
ACDLabs 14.52	Oc1ccc(/C=C/C(=O)O)cc1
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1C=CC(=O)O)O
CACTVS 3.385	OC(=O)\C=C\c1ccc(O)cc1
CACTVS 3.385	OC(=O)C=Cc1ccc(O)cc1

Name:

4'-HYDROXYCINNAMIC ACID;
PARA-COUMARIC ACID

ChEMBL:

CHEMBL66879

DrugBank:

DB04066

ZINC:

ZINC000000039811

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).