BioLiP

PDB

BioLiP

PDB CCD ID:

J8G

Number of entries in BioLiP:

Chemical formula:

C16 H12 O7

InChI:

InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3

InChIKey:

JGUZGNYPMHHYRK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O
ACDLabs 12.01	c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O
CACTVS 3.385	COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

Name:

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one;
rhamnetin

ChEMBL:

CHEMBL312163

DrugBank:

DB16772

ZINC:

ZINC000003875620

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).