BioLiP

PDB

BioLiP

PDB CCD ID:

GEN

Number of entries in BioLiP:

Chemical formula:

C15 H10 O5

InChI:

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

InChIKey:

TZBJGXHYKVUXJN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
ACDLabs 10.04	O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O
CACTVS 3.341	Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O

Name:

GENISTEIN;
5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE;
4',5,7-TRIHYDROXYISOFLAVONE;
PRUNETOL;
GENISTEOL

ChEMBL:

CHEMBL44

DrugBank:

DB01645

ZINC:

ZINC000018825330

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).