SEQ2FUN

BioLiP

PDB CCD ID: DFL
Number of entries in BioLiP: 4
Chemical formula: C15 H12 O3
InChI: InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1
InChIKey: ZLHVIYHWWQYJID-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3
CACTVS 3.341Oc1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)CC(O2)c3ccc(cc3)O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O
CACTVS 3.341Oc1ccc(cc1)[CH]2CC(=O)c3ccccc3O2
Name:2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE;
4'-HYDROXYFLAVANONE
DrugBank: DB04429
ZINC: ZINC000000057922
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).