BioLiP

PDB

BioLiP

PDB CCD ID:

DLM

Number of entries in BioLiP:

Chemical formula:

C15 H11 O7

InChI:

InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

InChIKey:

JKHRCGUTYDNCLE-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
ACDLabs 12.01	Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
OpenEye OEToolkits 1.7.6	c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O

Name:

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium;
Delphinidin

ChEMBL:

CHEMBL276780

ZINC:

ZINC000003777403

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).