BioLiP

PDB

BioLiP

PDB CCD ID:

HMO

Number of entries in BioLiP:

Chemical formula:

C16 H12 O4

InChI:

InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3

InChIKey:

LNIQZRIHAMVRJA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
OpenEye OEToolkits 1.5.0	COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
ACDLabs 10.04	O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3

Name:

4'-HYDROXY-7-METHOXYISOFLAVONE;
ISOFORMONONETIN

ChEMBL:

CHEMBL453280

DrugBank:

DB04202

ZINC:

ZINC000000968077

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).