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BioLiP

PDB CCD ID: SAK
Number of entries in BioLiP: 4
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
OpenEye OEToolkits 1.5.0COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O
CACTVS 3.341COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
CACTVS 3.341COc1cc(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, Peter L 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).

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