BioLiP

PDB

BioLiP

PDB CCD ID:

Q0X

Number of entries in BioLiP:

Chemical formula:

C15 H12 O7

InChI:

InChI=1S/C15H12O7/c16-8-5-11(19)14(12(20)6-8)15(22)13(21)4-7-1-2-9(17)10(18)3-7/h1-6,16-21H/b13-4-

InChIKey:

CUYYQQQQHCDPCX-PQMHYQBVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)c(c(O)c1)C(=O)C(O)=Cc2ccc(O)c(O)c2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1/C=C(/C(=O)c2c(cc(cc2O)O)O)\O)O)O
CACTVS 3.385	Oc1cc(O)c(c(O)c1)C(=O)/C(O)=C/c2ccc(O)c(O)c2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C=C(C(=O)c2c(cc(cc2O)O)O)O)O)O

Name:

(Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one;
taxifolin chalcone

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).