BioLiP

PDB

BioLiP

PDB CCD ID:

FER

Number of entries in BioLiP:

Chemical formula:

C10 H10 O4

InChI:

InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

InChIKey:

KSEBMYQBYZTDHS-HWKANZROSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cc(ccc1O)\C=C\C(=O)O
OpenEye OEToolkits 1.5.0	COc1cc(ccc1O)C=CC(=O)O
CACTVS 3.341	COc1cc(\C=C\C(O)=O)ccc1O
ACDLabs 10.04	O=C(O)\C=C\c1cc(OC)c(O)cc1
CACTVS 3.341	COc1cc(C=CC(O)=O)ccc1O

Name:

3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID;
FERULIC ACID

ChEMBL:

CHEMBL32749

DrugBank:

DB07767

ZINC:

ZINC000000058258

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).