BioLiP

PDB

BioLiP

PDB CCD ID:

DDC

Number of entries in BioLiP:

Chemical formula:

C15 H12 O3

InChI:

InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1

InChIKey:

SWAJPHCXKPCPQZ-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccccc3
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O
CACTVS 3.341	Oc1ccc2C(=O)C[CH](Oc2c1)c3ccccc3
OpenEye OEToolkits 1.5.0	c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O
ACDLabs 10.04	O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3

Name:

7-HYDROXY-2-PHENYL-CHROMAN-4-ONE;
5,4'-DIDEOXYFLAVANONE

ChEMBL:

CHEMBL402744

DrugBank:

DB04274

ZINC:

ZINC000000057920

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).