BioLiP

PDB

BioLiP

PDB CCD ID:

MYF

Number of entries in BioLiP:

Chemical formula:

C15 H10 O7

InChI:

InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H

InChIKey:

ARSRJFRKVXALTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
OpenEye OEToolkits 1.5.0	c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
CACTVS 3.341	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3

Name:

5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;
2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE;
PENTAHYDROXYFLAVONE

ChEMBL:

CHEMBL247484

DrugBank:

DB08230

ZINC:

ZINC000013520048

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).