BioLiP

PDB

BioLiP

PDB CCD ID:

2HC

Number of entries in BioLiP:

Chemical formula:

C9 H8 O3

InChI:

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

InChIKey:

PMOWTIHVNWZYFI-AATRIKPKSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)C=Cc1ccccc1O
CACTVS 3.341	OC(=O)\C=C\c1ccccc1O
ACDLabs 10.04	O=C(O)/C=C/c1ccccc1O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C=CC(=O)O)O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)\C=C\C(=O)O)O

Name:

(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID;
TRANS-2-HYDROXYCINNAMIC ACID;
O-COUMARIC ACID

ChEMBL:

CHEMBL52564

DrugBank:

DB01650

ZINC:

ZINC000000895911

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).