BioLiP

PDB

BioLiP

PDB CCD ID:

IRH

Number of entries in BioLiP:

Chemical formula:

C16 H12 O7

InChI:

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

InChIKey:

IZQSVPBOUDKVDZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
ACDLabs 12.01	COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O
CACTVS 3.385	COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2

Name:

isorhamnetin;
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

ChEMBL:

CHEMBL379064

DrugBank:

DB16767

ZINC:

ZINC000000517261

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).