BioLiP

PDB

BioLiP

PDB CCD ID:

SAK

Number of entries in BioLiP:

Chemical formula:

C16 H14 O5

InChI:

InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1

InChIKey:

DJOJDHGQRNZXQQ-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
OpenEye OEToolkits 1.5.0	COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O
CACTVS 3.341	COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3
ACDLabs 10.04	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
CACTVS 3.341	COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3

Name:

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one;
sakuranetin

ChEMBL:

CHEMBL448297

DrugBank:

DB08517

ZINC:

ZINC000000338284

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).